SCHEMBL6560065

SCHEMBL6560065

CCc1cc(N2CCCC2)nc2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc12

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.70
MAPT P10636 2/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.57
HTR2C P28335 1/20 0.57
MCHR2 Q969V1 1/20 0.57

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
SCHEMBL5873502 0.83 MCHR1 (0.65) MCHR1MAPTPOLB
SCHEMBL5873505 0.83 MCHR1 (0.65) MCHR1MAPTPOLB
SCHEMBL5873514 0.82 MCHR1 (0.65) MCHR1
SCHEMBL5873521 0.82 MCHR1 (0.65) MCHR1
SCHEMBL5873590 0.81 MCHR1 (0.73) MCHR1
SCHEMBL6311117 0.80 MCHR1 (1.00) MCHR1MCHR2
SCHEMBL6203999 0.80 MCHR1 (1.00) MCHR1MCHR2
SCHEMBL6198980 0.78 MCHR1 (1.00) MCHR1
SCHEMBL6198991 0.78 MCHR1 (1.00) MCHR1
SCHEMBL6199666 0.75 MCHR1 (1.00) MCHR1

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-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP claimed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 WO claimed