SCHEMBL4410444

SCHEMBL4410444

CCc1c(C)nc2c(c1-c1ccc(Cl)cc1Cl)C(=O)N(c1ccc(OC)cc1)C2

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 18/20 0.64
▸ DPP8 Q6V1X1 15/20 0.64
▸ DPP9 Q86TI2 14/20 0.64
▸ CYP3A4 P08684 10/20 0.64
▸ DCTPP1 Q9H773 1/20 0.42
▸ CNR1 P21554 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL2703337 0.93 DPP4 (0.64) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2703277 0.92 DPP4 (0.63) DPP4DPP8DPP9CYP3A4CNR1
SCHEMBL2703031 0.92 DPP4 (0.76) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2704440 0.84 DPP4 (0.56) DPP4DPP8DPP9CYP3A4CNR1
SCHEMBL4410390 0.81 DPP4 (0.61) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2704347 0.80 DPP4 (0.74) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL4403863 0.80 DPP4 (0.60) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL2705111 0.79 DPP4 (0.51) DPP4DPP8DPP9CYP3A4CNR1
SCHEMBL2705167 0.78 DPP4 (1.00) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL8268877 0.77 DPP4 (0.55) DPP4DPP8DPP9CYP3A4CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 — — EP disclosed
Send feedback