SCHEMBL7835904

SCHEMBL7835904

CCC(C)N(Cc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccc(C#CCO)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.40
GABRB2 P47870 5/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40

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
SCHEMBL7843172 0.92 GABRA1 (0.40) GABRA1GABRB2GABRB1GABRA3
SCHEMBL7843284 0.86 ALDH1A1 (0.33) GABRA1GABRB2GABRB1GABRA3
SCHEMBL7843694 0.86 GAA (0.46) GABRA1GABRB2
SCHEMBL7845109 0.84 CFTR (0.42) GABRA1GABRB2GABRB1GABRA3
SCHEMBL7860741 0.83 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL6670139 0.83 CFTR (0.39) GABRA1GABRB2
SCHEMBL7842246 0.83 KDM4E (0.44) GABRA1GABRB2
SCHEMBL7833923 0.82 CFTR (0.45) GABRA1GABRB2
SCHEMBL7847436 0.82 KDM4E (0.44) GABRA1GABRB2
SCHEMBL7845162 0.81 GABRA1 (0.39) GABRA1GABRB2

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 claimed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO claimed