SCHEMBL6607453

SCHEMBL6607453

CCc1ccc(C(N)=O)c(N)c1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
PARP1 P09874 2/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34

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
Hydrochloric Acid SCHEMBL6639008 0.98 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17786079 0.87 CDK8 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5169474 0.85 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10751483 0.85 HSD17B1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27516244 0.85 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5618594 0.84 PARP1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28262959 0.83 HSP90AB1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11440562 0.83 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3628084 0.83 NOS3 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
Bromide SCHEMBL9317974 0.82 PARP1 (0.37) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036075-B1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES REDDYS LAB LTD DR (IN) 2004-06-23 EP disclosed
US-6313113-B1 AZOLIDINEDIONE DERIVATIVES, ANALOGUES, TAUTOMERIC FORMS, STEREOISOMERS, POLYMORPHS, SALTS AND SOLVATES; TREATING NON-INSULIN-DEPENDENT DIABETES MELLITUS REDDY-CHEMINOR, INC. 2001-11-06 US disclosed
EP-1036075-A1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-09-20 EP disclosed
WO-1998045291-A1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-10-15 WO disclosed