SCHEMBL8975689

SCHEMBL8975689

Cc1cccc(N(C(N)=O)C2CC(c3ccccn3)CC(c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.52
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 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
SCHEMBL8921495 0.91 CCKBR (0.62) CCKBR
SCHEMBL8975223 0.85 CCKBR (0.55) CCKBR
SCHEMBL8920293 0.82 CCKBR (0.53) CCKBR
SCHEMBL8919257 0.82 CCKBR (0.53) CCKBR
SCHEMBL8921774 0.82 CCKBR (0.53) CCKBR
SCHEMBL8919315 0.81 CCKBR (0.52) CCKBR
SCHEMBL8925458 0.81 CCKBR (0.52) CCKBR
SCHEMBL8920519 0.81 CCKBR (0.56) CCKBR
SCHEMBL8922364 0.81 CCKBR (0.56) CCKBR
SCHEMBL8921102 0.80 CCKBR (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484917-A FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY PFIZER INC. (US) 1996-01-16 US disclosed