SCHEMBL7499739

SCHEMBL7499739

Cn1c2ccc(OCc3ccccc3)cc2c2c(CC(=O)N3CCCC3)nn(-c3ccccc3)c(=O)c21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
TSPO P30536 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
SRD5A2 P31213 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NMT1 P30419 1/20 0.41
HTR3A P46098 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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 0.89 MAOB (0.54) MAOBTSPOKDM4EALDH1A1POLB
SCHEMBL7493004 0.84 TSPO (0.61) TSPOALDH1A1TP53RXFP1
SCHEMBL7501779 0.84 TSPO (0.55) TSPOKDM4EALDH1A1POLBMAPT
SCHEMBL7499481 0.81 MAOB (0.53) MAOBTSPOKDM4EALDH1A1POLB
SCHEMBL7495009 0.76 TSPO (0.46) TSPOKDM4EPOLBMAPTTP53
SCHEMBL7494763 0.75 TSPO (0.45) TSPOKDM4EALDH1A1POLBMAPT
SCHEMBL6256479 0.73 TSPO (0.71) TSPOALDH1A1POLBMAPTGAA
SCHEMBL7750388 0.72 TSPO (0.56) TSPOKDM4EALDH1A1POLBMAPT
SCHEMBL4836958 0.72 TSPO (0.61) TSPOALDH1A1
SCHEMBL7750398 0.72 TSPO (0.69) TSPO

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