SCHEMBL20394662

SCHEMBL20394662

Cc1ccc(NC(=O)Nc2cccc3c2CCN(CCN(C)C(=O)N(C)C)C3)cn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 14/20 0.46
CARM1 Q86X55 1/20 0.46
ABCB1 P08183 3/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
DRD2 P14416 1/20 0.38

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
SCHEMBL402063 0.92 P2RY1 (0.47) P2RY1CARM1ABCB1ABCG2NPSR1
SCHEMBL401218 0.88 P2RY1 (0.49) P2RY1CARM1ABCB1ABCG2NPSR1
SCHEMBL545740 0.86 P2RY1 (0.47) P2RY1CARM1DRD2
SCHEMBL3204642 0.86 P2RY1 (0.47) P2RY1CARM1ABCB1ABCG2
SCHEMBL400451 0.86 P2RY1 (0.50) P2RY1CARM1ABCB1ABCG2NPSR1
SCHEMBL29714032 0.83 P2RY1 (0.48) P2RY1CARM1ABCB1ABCG2NPSR1
SCHEMBL401768 0.83 P2RY1 (0.48) P2RY1CARM1ABCB1ABCG2
SCHEMBL401956 0.83 P2RY1 (0.45) P2RY1CARM1ABCB1ABCG2NPSR1
SCHEMBL402147 0.82 P2RY1 (0.44) P2RY1CARM1ABCB1ABCG2
SCHEMBL402487 0.82 P2RY1 (0.44) P2RY1CARM1ABCB1ABCG2

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-2862859-B1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2018-07-25 EP disclosed