SCHEMBL7750505

SCHEMBL7750505

Cn1c2ccccc2c2c(CC(=O)O)nn(-c3ccccc3)c(=O)c21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.61
RXFP1 Q9HBX9 3/20 0.50
TSHR P16473 5/20 0.49
HSD17B10 Q99714 5/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 6/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL600372 0.89 TSPO (0.78) TSPOSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL7750388 0.88 TSPO (0.56) TSPORXFP1TSHRHSD17B10KMT2A
SCHEMBL5702540 0.87 TSPO (0.81) TSPOMAPTTP53
SCHEMBL7750398 0.87 TSPO (0.69) TSPO
SCHEMBL7501779 0.86 TSPO (0.55) TSPORXFP1TSHRHSD17B10KMT2A
SCHEMBL7751594 0.84 TSPO (0.50) TSPORXFP1TSHRHSD17B10KMT2A
SCHEMBL7745876 0.81 MAOB (0.54) TSPORXFP1KMT2AKDM4EALDH1A1
SCHEMBL7497799 0.77 TSPO (0.71) TSPOTSHRKMT2ASMN1; SMN2KDM4E
SCHEMBL22082635 0.77 TSPO (0.80) TSPOSMN1; SMN2MAPTPOLBTP53
SCHEMBL14101694 0.77 NPSR1 (0.49) TSPORXFP1TSHRHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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