SCHEMBL5647773

SCHEMBL5647773

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

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.79
HTR2C P28335 13/20 0.79
ACKR3 P25106 1/20 0.52

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
SCHEMBL5646903 0.91 MCHR1 (0.79) MCHR1HTR2CACKR3
SCHEMBL5646506 0.89 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL5651597 0.88 MCHR1 (1.00) MCHR1HTR2C
SCHEMBL6490307 0.87 MCHR1 (0.98) MCHR1HTR2C
SCHEMBL5646061 0.87 MCHR1 (0.98) MCHR1HTR2C
SCHEMBL5647011 0.87 MCHR1 (0.77) MCHR1HTR2C
SCHEMBL5645408 0.86 MCHR1 (0.80) MCHR1HTR2CACKR3
SCHEMBL5650948 0.85 MCHR1 (0.72) MCHR1HTR2C
SCHEMBL5647647 0.83 MCHR1 (0.69) MCHR1HTR2C
SCHEMBL5646887 0.83 MCHR1 (0.71) 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