SCHEMBL30833208

SCHEMBL30833208

NC(=O)c1ccc2cc(C(F)(F)F)n(C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.54
OPRK1 P41145 14/20 0.54
OPRM1 P35372 9/20 0.54
OPRD1 P41143 4/20 0.54

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
SCHEMBL30833214 0.85 OPRK1 (0.59) KCNH2OPRK1OPRM1OPRD1
SCHEMBL30833201 0.80 OPRK1 (0.48) KCNH2OPRK1OPRM1OPRD1
SCHEMBL30833216 0.79 KCNH2 (0.58) KCNH2OPRK1OPRM1OPRD1
SCHEMBL30833225 0.78 KCNH2 (0.54) KCNH2OPRK1OPRM1OPRD1
SCHEMBL30833204 0.78 KCNH2 (0.56) KCNH2OPRK1OPRM1OPRD1
SCHEMBL30833234 0.76 OPRK1 (0.52) KCNH2OPRK1OPRM1OPRD1
SCHEMBL30833227 0.75 OPRM1 (0.48) KCNH2OPRK1OPRM1OPRD1
SCHEMBL30833219 0.74 OPRK1 (0.50) KCNH2OPRK1OPRM1OPRD1
SCHEMBL30833217 0.73 OPRK1 (0.53) KCNH2OPRK1OPRM1OPRD1
SCHEMBL30833213 0.71 OPRK1 (0.48) KCNH2OPRK1OPRM1OPRD1

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