SCHEMBL9615977

SCHEMBL9615977

c1ccc2c(c1)COC21CC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
OPRD1 P41143 1/20 0.50
AVPR1A P37288 2/20 0.49

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
SCHEMBL11328335 0.90 SIGMAR1 (0.50) SIGMAR1OPRD1
SCHEMBL30389740 0.90 SIGMAR1 (0.50) SIGMAR1OPRD1
SCHEMBL6350679 0.89 SIGMAR1 (0.47) SIGMAR1OPRD1AVPR1A
SCHEMBL3400315 0.88 SIGMAR1 (0.49) SIGMAR1OPRD1AVPR1A
SCHEMBL29790950 0.88 SIGMAR1 (0.49) SIGMAR1OPRD1AVPR1A
SCHEMBL31415656 0.86 SIGMAR1 (0.53) SIGMAR1OPRD1AVPR1A
SCHEMBL8871048 0.86 SIGMAR1 (0.53) SIGMAR1OPRD1AVPR1A
SCHEMBL15963043 0.86 SIGMAR1 (0.48) SIGMAR1OPRD1AVPR1A
SCHEMBL238660 0.86 OPRD1 (0.48) SIGMAR1OPRD1AVPR1A
SCHEMBL86971 0.86 SIGMAR1 (0.53) SIGMAR1OPRD1AVPR1A

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
JP-4181608-A None JP disclosed
JP-H04181608-A EXTRA FINE LEAD WIRE AND MANUFACTURE THEREOF SHINETSU DENSEN KK 1992-06-29 JP disclosed