SCHEMBL29237570

SCHEMBL29237570

CCOC(=O)C=Cc1cccc(C2(C(=O)O)CCN(C(F)C(F)F)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.48
▸ KMT2A Q03164 2/20 0.43
▸ OPRM1 P35372 6/20 0.41
▸ OPRD1 P41143 5/20 0.41
▸ OPRK1 P41145 5/20 0.41
▸ TTR P02766 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ SLC22A1 O15245 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38

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
SCHEMBL15322746 0.85 BACE1 (0.58) BACE1KMT2AOPRM1TTRDPP4
SCHEMBL15322749 0.85 BACE1 (0.58) BACE1KMT2AOPRM1TTRDPP4
SCHEMBL30217190 0.83 OPRM1 (0.58) BACE1KMT2AOPRM1OPRD1OPRK1
SCHEMBL29237501 0.80 OPRM1 (0.41) KMT2AOPRM1OPRD1OPRK1SLC22A1
SCHEMBL30217340 0.77 BACE1 (0.52) BACE1KMT2AOPRM1TTRDPP4
SCHEMBL30967833 0.77 BACE1 (0.52) BACE1KMT2AOPRM1TTRDPP4
SCHEMBL29237214 0.77 BACE1 (0.52) BACE1KMT2AOPRM1TTRDPP4
SCHEMBL29237211 0.77 BACE1 (0.52) BACE1KMT2AOPRM1TTRDPP4
SCHEMBL15322548 0.77 BACE1 (0.49) BACE1KMT2AOPRM1OPRD1OPRK1
SCHEMBL29237660 0.73 KMT2A (0.39) KMT2AOPRM1OPRD1OPRK1RAB9A

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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