SCHEMBL6216618

SCHEMBL6216618

O=C1[N]C(=O)c2c1ccc1[nH]c3ccccc3c21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.60
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL25835900 0.80 PARP1 (0.68) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL25835901 0.80 PARP1 (0.68) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL29516962 0.75 PARP1 (1.00) PARP1MAP3K9MAP3K11CDK4CCND1
SCHEMBL10014083 0.75 PARP1 (0.62) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL6214537 0.75 PARP1 (0.62) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL5381581 0.75 PARP1 (1.00) PARP1MAP3K9MAP3K11CDK4CCND1
SCHEMBL28357035 0.75 PARP1 (0.57) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL5828670 0.73 PARP1 (0.59) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL1635466 0.72 ALDH1A1 (0.68) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL29380761 0.72 ALDH1A1 (0.68) PARP1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092715-B1 Cyano-indole derivatives as inhibitors of serotonin reuptake, method for their preparation and pharmaceutical compositions containing the same SERVIER LAB (FR) 2005-03-23 EP claimed
US-6492366-B1 Cyano-indole serotonin-reuptake inhibitor compound LES LABORATOIRES SERVIER (FR) 2002-12-10 US claimed
EP-1092715-A2 Cyano-indole derivatives as inhibitors of serotonin reuptake, method for their preparation and pharmaceutical compositions containing the same ADIR ET COMPAGNIE (FR) 2001-04-18 EP claimed
EP-1092715-B1 Cyano-indole derivatives as inhibitors of serotonin reuptake, method for their preparation and pharmaceutical compositions containing the same SERVIER LAB (FR) 2005-03-23 EP disclosed
US-6492366-B1 Cyano-indole serotonin-reuptake inhibitor compound LES LABORATOIRES SERVIER (FR) 2002-12-10 US disclosed
EP-1092715-A2 Cyano-indole derivatives as inhibitors of serotonin reuptake, method for their preparation and pharmaceutical compositions containing the same ADIR ET COMPAGNIE (FR) 2001-04-18 EP disclosed