SCHEMBL9684281

SCHEMBL9684281

c1ccc2c(c1)C1c3ccsc3C2N1CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL9684243 0.76 CHRM2 (0.37) SIGMAR1
SCHEMBL9683453 0.76 OPRM1 (0.35) OPRM1
SCHEMBL9684167 0.74 ALDH1A1 (0.31)
SCHEMBL9683476 0.73 KDM1A (0.36) OPRM1SIGMAR1
SCHEMBL9683465 0.73 CARM1 (0.33) OPRM1SIGMAR1
SCHEMBL9683449 0.72 HHAT (0.30)
SCHEMBL9684133 0.71 CYP2D6 (0.38) OPRM1SIGMAR1
SCHEMBL9684632 0.71 SLC6A2 (0.36) OPRM1SIGMAR1
SCHEMBL9683338 0.71 POLB (0.34)
SCHEMBL9682581 0.69 HTT (0.35)

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-0475187-A1 Naphthothiophenimines for treating neuronal disorders caused by ischemia BRISTOL-MYERS SQUIBB COMPANY (US) 1992-03-18 EP disclosed
US-5064831-A N-methyl-d-aspartate receptor antagonist BRISTOL-MYERS SQUIBB CO. (US) 1991-11-12 US disclosed