SCHEMBL29292175

SCHEMBL29292175

CC(C)Nc1ccc(OCCCCN)cc1NC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.43
▸ ADRB2 P07550 2/20 0.40
▸ ITGB3 P05106 6/20 0.39
▸ ITGA2B P08514 6/20 0.39
▸ HTR1A P08908 2/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ MAOB P27338 1/20 0.36

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
SCHEMBL19542953 0.71 ALDH1A1 (0.43) PDE3AKDM4EALDH1A1LMNATP53
SCHEMBL10223309 0.69 MEN1 (0.54) ITGB3ITGA2BKDM4ELMNA
SCHEMBL25454018 0.69 CARM1 (0.52) CARM1ITGB3ITGA2BHTR1AHTR1D
SCHEMBL25454019 0.68 CARM1 (0.51) CARM1ITGB3ITGA2BHTR1AHTR1D
SCHEMBL25454020 0.68 CARM1 (0.51) CARM1ITGB3ITGA2BHTR1AHTR1D
SCHEMBL11528528 0.67 APP (0.45) ALDH1A1LMNACYP3A4
SCHEMBL11531493 0.67 APP (0.45) ALDH1A1LMNACYP3A4
SCHEMBL12837266 0.67 MAOA (0.48) CYP1A2MAOAMAOBKDM4EALDH1A1
SCHEMBL6255090 0.66 MAPT (0.53) MAOBKCNH2ALDH1A1
SCHEMBL6849781 0.66 DRD2 (0.57) ITGB3ITGA2BKCNH2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3821981-B1 SUBSTRATE FOR NUCLEIC ACID AMPLIFICATION, AND METHOD FOR MANUFACTURING SAME KOREA RES INST BIOSCIENCE & BIOTECHNOLOGY (KR) 2024-07-10 — — EP disclosed
EP-3821982-B1 SUBSTRATE FOR NUCLEIC ACID AMPLIFICATION, AND METHOD FOR MANUFACTURING SAME KOREA RES INST BIOSCIENCE & BIOTECHNOLOGY (KR) 2024-07-10 — — EP disclosed
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