SCHEMBL696112

SCHEMBL696112

NNCCCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
LMNA P02545 2/20 0.74
CYP3A4 P08684 2/20 0.74
MAOA P21397 2/20 0.74
IDO1 P14902 2/20 0.74
MAOB P27338 2/20 0.74
NPC1 O15118 1/20 0.74
KDM1A O60341 1/20 0.74
CYP1A2 P05177 1/20 0.74
HTR1A P08908 1/20 0.74
ADRA2A P08913 1/20 0.74
CYP2C8 P10632 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
TSHR P16473 1/20 0.74
NFKB1 P19838 1/20 0.74
PTGS1 P23219 1/20 0.74
SLC6A2 P23975 1/20 0.74
CYP2C19 P33261 1/20 0.74
ADRA1A P35348 1/20 0.74

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6268383 0.98 CYP3A4 (0.71) ALDH1A1LMNACYP3A4MAOAIDO1
Hydrochloric Acid SCHEMBL11528823 0.98 CYP3A4 (0.71) ALDH1A1LMNACYP3A4MAOAIDO1
SCHEMBL7065369 0.93 MAOB (0.71) ALDH1A1LMNACYP3A4MAOAIDO1
SCHEMBL29263705 0.91 SIGMAR1 (0.69) ALDH1A1LMNACYP3A4MAOAIDO1
Hydrochloric Acid SCHEMBL7060935 0.91 CYP3A4 (0.68) ALDH1A1LMNACYP3A4MAOAIDO1
Hydrochloric Acid SCHEMBL17064267 0.91 CYP3A4 (0.68) ALDH1A1LMNACYP3A4MAOAIDO1
SCHEMBL8861460 0.91 SIGMAR1 (0.69) ALDH1A1LMNACYP3A4MAOAIDO1
Phenelzine SCHEMBL3644150 0.85 LMNA (1.00) ALDH1A1LMNACYP3A4MAOAIDO1
Phenelzine SCHEMBL34335 0.85 LMNA (1.00) ALDH1A1LMNACYP3A4MAOAIDO1
Butylbenzyl SCHEMBL28088961 0.84 SIGMAR1 (0.62) ALDH1A1LMNACYP3A4MAOAIDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119836205-A Perovskite solar cell based on multifunctional additive and preparation method thereof 东方电气长三角(杭州)创新研究院有限公司 2025-04-15 CN claimed
CN-114437153-A Adriamycin-monoamine oxidase inhibitor prodrug compound and preparation method and application thereof 沈阳药科大学 2022-05-06 CN claimed
US-5985512-A BASE RESIN, PHOTOACID GENERATOR, SOLVENT AND NITRONENOUS ORGANIC COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-11-16 US claimed
US-4786653-A Treatment of neurotransmitter-linked drug abuse GOLWYN DANIEL H (US) 1988-11-22 US claimed
JP-5246970-A None JP disclosed
CN-119836205-A Perovskite solar cell based on multifunctional additive and preparation method thereof 东方电气长三角(杭州)创新研究院有限公司 2025-04-15 CN disclosed
CN-114437153-B Adriamycin-monoamine oxidase inhibitor prodrug compound and preparation method and application thereof 沈阳药科大学 2023-10-27 CN disclosed
WO-2015080665-A1 CHALCONE-UREA DERIVATIVES AS INSULIN SENSORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-06-04 WO disclosed
CN-102405211-B Proline derivatives as cathepsin inhibitors HOFFMANN LA ROCHE 2015-01-21 CN disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
CN-102405211-A Proline derivatives as cathepsin inhibitors HOFFMANN LA ROCHE 2012-04-04 CN disclosed
US-5229417-A Obsessive compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed
US-5229417-A Obsessive compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed
US-5229417-A Obsessive compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed
EP-0545425-A1 2-(3-Phenylpropyl)hydrazines, intermediates in and a process for the preparation thereof, and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-06-09 EP disclosed
US-4919808-A Semipermeable membrane compositions ALLIED-SIGNAL INC. (US) 1990-04-24 US disclosed
US-4919916-A Treatment of neurotransmitter-linked drug abuse GOLWYN DANIEL H (US) 1990-04-24 US disclosed
US-4786653-A Treatment of neurotransmitter-linked drug abuse GOLWYN DANIEL H (US) 1988-11-22 US disclosed
US-4639441-A ANTIBACTERIAL PENICILLINS SANKYO COMPANY LIMITED (JP) 1987-01-27 US disclosed