SCHEMBL7499481

SCHEMBL7499481

Cn1c2ccc(OCc3ccccc3)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
AS3MT Q9HBK9 2/20 0.48
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.42
TSPO P30536 1/20 0.42
SRD5A2 P31213 1/20 0.41
MYLK Q15746 2/20 0.39

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
SCHEMBL7745876 0.86 MAOB (0.54) MAOBAS3MTMEN1NPC1RAB9A
SCHEMBL7492444 0.83 TSPO (0.46) KMT2AKDM4EALDH1A1MAPTPOLB
SCHEMBL7497324 0.82 TSPO (0.57) KDM4ECYP1A2CYP2D6CYP2C19TSPO
SCHEMBL7499739 0.81 MAOB (0.48) MAOBMEN1NPC1RAB9AKMT2A
SCHEMBL5702800 0.77 TSPO (0.68) KDM4ETSPO
SCHEMBL7498246 0.72 KDM4E (0.42) KMT2AKDM4EALDH1A1MAPTPOLB
SCHEMBL7497760 0.71 KDM4E (0.38) KDM4EMAPTCYP1A2CYP2D6CYP2C19
SCHEMBL7496967 0.71 TSPO (0.60) TSPO
SCHEMBL7497769 0.70 TSPO (0.51) KMT2AKDM4EALDH1A1MAPTPOLB
SCHEMBL7499582 0.70 TSPO (0.51) KMT2AKDM4EALDH1A1MAPTPOLB

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-1000063-B1 4-OXO-3,5-DIHYDRO-4H-PYRIDAZINO[4,5-b]INDOLE-1-ACETAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SYNTHELABO (FR) 2002-10-23 EP disclosed
US-6262045-B1 TREATMENT OF ANXIETY; SLEEP DISORDER; EPILEPSY; SPASTICITY; MUSCLE CONTRACTURE OR AN EXTRAPYRAMIDAL SYNDROM; INDUCING OR MAINTAINING ANAESTHESIA SANOFI-SYNTHELABO (FR) 2001-07-17 US disclosed