SCHEMBL29237405

SCHEMBL29237405

CCOC(=O)CCc1cccc(C2(C(=O)CBr)CCN(C(F)C(F)F)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.38
▸ OPRD1 P41143 6/20 0.38
▸ OPRK1 P41145 6/20 0.38
▸ CHRM5 P08912 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ CHRM3 P20309 2/20 0.37
▸ KCNA3 P22001 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL29237501 0.90 OPRM1 (0.41) OPRM1OPRD1OPRK1CHRM5CHRM1
SCHEMBL31108605 0.81 NPSR1 (0.40) OPRM1OPRD1OPRK1CHRM5CHRM1
SCHEMBL29237466 0.81 NPSR1 (0.40) OPRM1OPRD1OPRK1CHRM5CHRM1
SCHEMBL29237682 0.81 CYP4F2 (0.39) OPRM1OPRD1OPRK1CHRM5CHRM1
SCHEMBL30217338 0.81 CYP4F2 (0.39) OPRM1OPRD1OPRK1CHRM5CHRM1
SCHEMBL29237237 0.78 CYP4F2 (0.38) OPRM1OPRD1OPRK1CHRM5CHRM1
SCHEMBL31108597 0.76 SIRT2 (0.43) OPRM1OPRK1CHRM5CHRM1CHRM3
SCHEMBL29237224 0.76 SIRT2 (0.43) OPRM1OPRK1CHRM5CHRM1CHRM3
SCHEMBL31108595 0.74 SIRT2 (0.41) OPRM1OPRK1CHRM5CHRM1CHRM3
SCHEMBL31108543 0.74 SIRT2 (0.41) OPRM1OPRK1CHRM5CHRM1CHRM3

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
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