SCHEMBL7845927

SCHEMBL7845927

O=C(c1c[nH]c2ccc(CCCO)cc2c1=O)N(Cc1ccc(Cl)cc1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HAT1 O14929 1/20 0.44
EP300 Q09472 1/20 0.44
GABRA1 P14867 6/20 0.42
GABRB2 P47870 6/20 0.42
CFTR P13569 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
C5AR1 P21730 2/20 0.40
AGER Q15109 1/20 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
SCHEMBL7845162 0.84 GABRA1 (0.39) HAT1EP300GABRA1GABRB2CFTR
SCHEMBL7834749 0.84 GAA (0.48) GABRA1GABRB2CFTRPRKAB2PRKAG1
SCHEMBL7843026 0.82 GABRA1 (0.45) GABRA1GABRB2CFTRPRKAB2PRKAG1
SCHEMBL6686020 0.81 GABRA1 (0.48) HAT1EP300GABRA1GABRB2CFTR
SCHEMBL7841512 0.79 ALDH1A1 (0.46)
SCHEMBL6667391 0.78 KDM4E (0.41) HAT1EP300GABRA1GABRB2CFTR
SCHEMBL7845316 0.77 HSD17B10 (0.44) GABRA1GABRB2CFTR
SCHEMBL7843880 0.76 ALDH1A1 (0.45)
SCHEMBL7845846 0.74 GAA (0.51) GABRA1GABRB2CFTR
SCHEMBL6961431 0.73 ALDH1A1 (0.44) GABRA1GABRB2CFTR

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-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed