SCHEMBL8972602

SCHEMBL8972602

O=Nc1ccccc1ONCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL8371908 0.76 MEN1 (0.49) SIGMAR1MEN1KMT2AL3MBTL1POLB
SCHEMBL5306298 0.76 HTR2A (0.51) SIGMAR1MEN1KMT2AHPGDALDH1A1
SCHEMBL27663951 0.76 SIGMAR1 (0.48) SIGMAR1MEN1KMT2AL3MBTL1NPC1
Hydrochloric Acid SCHEMBL10766746 0.75 MEN1 (0.51) SIGMAR1MEN1KMT2AL3MBTL1POLB
SCHEMBL1045802 0.73 DRD2 (0.58) SIGMAR1MEN1KMT2AL3MBTL1POLB
Hydrochloric Acid SCHEMBL8371863 0.73 MEN1 (0.49) SIGMAR1MEN1KMT2AL3MBTL1POLB
SCHEMBL4953314 0.68 CTSD (0.32) SIGMAR1
SCHEMBL8845675 0.68 SIGMAR1 (0.59) SIGMAR1MEN1KMT2AL3MBTL1POLB
SCHEMBL31438227 0.68 SIGMAR1 (0.59) SIGMAR1MEN1KMT2AL3MBTL1POLB
SCHEMBL28079976 0.67 L3MBTL1 (0.56) SIGMAR1MEN1KMT2AL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545425-B1 2-(3-Phenylpropyl)hydrazines, intermediates in and a process for the preparation thereof, and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-03-20 EP disclosed
US-5268468-A Or optical isomers thereof HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-12-07 US disclosed
US-5268468-A Or optical isomers thereof HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-12-07 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