SCHEMBL6670139

SCHEMBL6670139

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

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.39
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
NHERF1 O14745 2/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL7843694 0.88 GAA (0.46) CFTRGABRA1GABRB2POLB
SCHEMBL7833923 0.86 CFTR (0.45) CFTRGABRA1GABRB2NHERF1POLB
SCHEMBL7843172 0.85 GABRA1 (0.40) CFTRGABRA1GABRB2
SCHEMBL7860741 0.85 GABRA1 (0.39) CFTRGABRA1GABRB2POLB
SCHEMBL7845162 0.84 GABRA1 (0.39) CFTRGABRA1GABRB2NHERF1POLB
SCHEMBL7847436 0.84 KDM4E (0.44) CFTRGABRA1GABRB2POLB
SCHEMBL7835904 0.83 GABRA1 (0.40) GABRA1GABRB2
SCHEMBL7842246 0.83 KDM4E (0.44) CFTRGABRA1GABRB2POLB
SCHEMBL7845109 0.82 CFTR (0.42) CFTRGABRA1GABRB2POLB
SCHEMBL7846548 0.82 CFTR (0.42) CFTRGABRA1GABRB2POLB

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
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
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
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed
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