SCHEMBL6633770

SCHEMBL6633770

C[C@H](OCc1ccc(F)cc1)C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.44
NR4A2 P43354 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
KLK7 P49862 1/20 0.41
HTT P42858 1/20 0.41
PARP10 Q53GL7 1/20 0.41
MAOA P21397 1/20 0.40
TSHR P16473 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
S1PR5 Q9H228 1/20 0.40
FFAR1 O14842 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL6635030 1.00 MAOB (0.44) MAOBNR4A2HPGDLMNAKMT2A
SCHEMBL1533101 0.84 NR4A2 (0.46) MAOBNR4A2HPGDLMNAKMT2A
SCHEMBL2219112 0.83 MAOB (0.44) MAOBHPGDLMNAKMT2AIDO1
SCHEMBL12437263 0.83 MAOB (0.44) MAOBHPGDLMNAKMT2AIDO1
SCHEMBL5169494 0.82 ALDH1A1 (0.53) MAOBHPGDLMNAKMT2AHTT
SCHEMBL839677 0.82 ALDH1A1 (0.53) MAOBHPGDLMNAKMT2AHTT
SCHEMBL5168366 0.82 ALDH1A1 (0.53) MAOBHPGDLMNAKMT2AHTT
SCHEMBL19896817 0.81 HTT (0.49) MAOBIDO1AGXTKLK7HTT
SCHEMBL28656889 0.81 ALDH1A1 (0.52) MAOBHPGDLMNAKMT2AHTT
SCHEMBL1968068 0.80 PPARG (0.47) HPGDLMNAIDO1AGXTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015433-B1 SUBSTITUTED 1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-3-BENZAZOCINE-10-OLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-26 EP disclosed
EP-1015433-A1 SUBSTITUTED 1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-3-BENZAZOCINE-10-OLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2000-07-05 EP disclosed
WO-1999014199-A1 SUBSTITUTED 1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-3-BENZAZOCINE-10-OLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-03-25 WO disclosed