SCHEMBL18315903

SCHEMBL18315903

Cc1cc(CC(NC(=O)ON2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCN(C)CC2)cc2cn[nH]c12

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.72
CYP3A4 P08684 4/20 0.72

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
SCHEMBL18315892 0.95 CALCRL (0.77) CALCRLCYP3A4
SCHEMBL18315888 0.95 CALCRL (0.78) CALCRLCYP3A4
SCHEMBL18315919 0.92 CALCRL (0.84) CALCRLCYP3A4
SCHEMBL18315908 0.92 CALCRL (0.72) CALCRLCYP3A4
SCHEMBL18315925 0.91 CALCRL (0.66) CALCRLCYP3A4
SCHEMBL3768699 0.91 CALCRL (0.86) CALCRLCYP3A4
SCHEMBL18315916 0.89 CALCRL (0.64) CALCRLCYP3A4
SCHEMBL3754417 0.86 CALCRL (0.92) CALCRLCYP3A4
SCHEMBL18315945 0.85 CYP3A4 (0.85) CALCRLCYP3A4
SCHEMBL3762519 0.85 CALCRL (0.93) CALCRLCYP3A4

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-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP claimed