SCHEMBL8380654

SCHEMBL8380654

N#Cc1ccc(N2CC(=O)NC2=O)c(C#Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.38
GRM5 P41594 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL8377427 0.75 NAMPT (0.41) OPRM1OPRL1
SCHEMBL6474586 0.74 OPRM1 (0.46) GRM5OPRM1OPRL1
SCHEMBL3559706 0.74 NSD2 (0.58) CTSGCMA1NSD2
SCHEMBL8379317 0.72 CASP3 (0.38) OPRM1OPRL1NSD2
SCHEMBL8377372 0.70 CASP3 (0.37) OPRM1OPRL1NSD2
SCHEMBL7394220 0.70 KDM4E (0.41)
SCHEMBL7395289 0.70 KDM4E (0.39)
SCHEMBL6740517 0.70 POLB (0.46) OPRM1OPRL1CTSGCMA1
SCHEMBL7392675 0.68 GRM5 (0.40) GRM5
SCHEMBL3541145 0.67 HNF4A (0.49)

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-5863947-A Phenylglycine derivatives useful for treating disorders of the central nervous system ELI LILLY AND COMPANY LIMITED (GB) 1999-01-26 US disclosed