SCHEMBL30833237

SCHEMBL30833237

NC1C[C@H]2CC[C@@H](C1)N2Cc1ccsn1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL30201373 0.87 ARG1 (0.38) OPRM1OPRK1KCNH2ARG1ARG2
SCHEMBL4864664 0.70 TAAR1 (0.38) KCNH2
SCHEMBL4851359 0.70 OPRM1 (0.52) OPRM1OPRK1KCNH2
SCHEMBL30833200 0.69 OPRK1 (0.37) OPRM1OPRK1KCNH2
SCHEMBL30833230 0.69 JAK2 (0.41) OPRM1OPRK1KCNH2
SCHEMBL168287 0.68 CHRM2 (0.58) OPRM1OPRK1KCNH2
SCHEMBL15021133 0.68 CHRM2 (0.58) OPRM1OPRK1KCNH2
SCHEMBL21772974 0.68 CHRM2 (0.58) OPRM1OPRK1KCNH2
SCHEMBL21777244 0.68 CHRM2 (0.58) OPRM1OPRK1KCNH2
SCHEMBL168286 0.68 CHRM2 (0.58) OPRM1OPRK1KCNH2

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
CN-117729914-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2024-03-19 CN disclosed