SCHEMBL11762583

SCHEMBL11762583

O=[SH2]=O.OC1(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.59
OPRM1 P35372 10/20 0.59
OPRK1 P41145 10/20 0.59
OPRD1 P41143 8/20 0.48
POLB P06746 1/20 0.47
AKR1C1 Q04828 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
DRD2 P14416 1/20 0.42

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
SCHEMBL10060840 0.90 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL7815717 0.90 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL13605139 0.83 OPRL1 (0.61) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL1724862 0.80 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL1109741 0.80 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL3025596 0.79 AKR1C1 (0.68) OPRL1OPRM1OPRK1OPRD1AKR1C1
SCHEMBL1040024 0.78 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL29195226 0.78 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL60129 0.78 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1POLB
Ammonia Solution, Strong SCHEMBL29195223 0.78 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1POLB

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-4052553-A BACTERICIDE, ANTIMALARIAL BURROUGHS WELLCOME CO. (US) 1977-10-04 US disclosed