SCHEMBL5646903

SCHEMBL5646903

NC(=O)C1CCN(Cc2cnc3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)cc4)ccc3c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.79
HTR2C P28335 9/20 0.79
F10 P00742 1/20 0.55
ACKR3 P25106 6/20 0.53

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
SCHEMBL5647773 0.91 MCHR1 (0.79) MCHR1HTR2CACKR3
SCHEMBL5648064 0.88 MCHR1 (1.00) MCHR1HTR2C
SCHEMBL5647227 0.87 MCHR1 (0.98) MCHR1HTR2C
SCHEMBL5644747 0.87 MCHR1 (0.77) MCHR1HTR2CACKR3
SCHEMBL5651358 0.85 MCHR1 (0.72) MCHR1HTR2CACKR3
SCHEMBL5650554 0.83 MCHR1 (0.71) MCHR1HTR2CACKR3
SCHEMBL6621201 0.81 MCHR1 (0.84) MCHR1HTR2C
SCHEMBL5648304 0.81 MCHR1 (1.00) MCHR1HTR2C
SCHEMBL5646506 0.80 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL5645500 0.80 MCHR1 (0.98) MCHR1HTR2C

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
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP disclosed