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Sugi Predict / Compounds / SCHEMBL9040446

SCHEMBL9040446

SCHEMBL9040446

Cc1cccc(NC(=O)NC2C=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 13/20 0.50
▸ CDK5 Q00535 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CCKAR P32238 3/20 0.41

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
SCHEMBL9040095 0.85 CCKBR (0.59) CCKBRALDH1A1CCKAR
SCHEMBL9040117 0.85 CCKBR (0.51) CCKBRALDH1A1CCKAR
SCHEMBL9039789 0.84 CCKBR (0.65) CCKBRCCKAR
SCHEMBL9040261 0.82 CCKBR (0.50) CCKBRALDH1A1CCKAR
SCHEMBL9039509 0.81 CCKBR (0.55) CCKBRALDH1A1CCKAR
SCHEMBL9041497 0.81 CCKBR (0.71) CCKBRCCKAR
SCHEMBL9040114 0.81 CCKBR (0.59) CCKBRCCKAR
SCHEMBL9039519 0.81 CCKBR (0.60) CCKBRCCKAR
SCHEMBL9038467 0.81 CCKBR (0.56) CCKBRALDH1A1CCKAR
SCHEMBL9039128 0.81 CCKBR (0.73) CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703222-A1 3-AMINOAZEPINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-03-27 — — EP claimed
EP-0703222-A1 3-AMINOAZEPINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-03-27 — — EP disclosed