SCHEMBL30217190

SCHEMBL30217190

CCOC(=O)/C=C/c1cccc(C2(C(=O)O)CCN(CC(F)(F)F)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.58
▸ OPRD1 P41143 5/20 0.58
▸ OPRK1 P41145 5/20 0.58
▸ BACE1 P56817 2/20 0.48
▸ KMT2A Q03164 1/20 0.43
▸ TTR P02766 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KCNA3 P22001 1/20 0.39

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
SCHEMBL15322749 0.85 BACE1 (0.58) OPRM1BACE1KMT2ATTRDPP4
SCHEMBL15322746 0.85 BACE1 (0.58) OPRM1BACE1KMT2ATTRDPP4
SCHEMBL29237570 0.83 BACE1 (0.48) OPRM1OPRD1OPRK1BACE1KMT2A
SCHEMBL30217226 0.80 OPRM1 (0.59) OPRM1OPRD1OPRK1KMT2AKDM4E
SCHEMBL30217340 0.77 BACE1 (0.52) OPRM1BACE1KMT2ATTRDPP4
SCHEMBL29237214 0.77 BACE1 (0.52) OPRM1BACE1KMT2ATTRDPP4
SCHEMBL29237211 0.77 BACE1 (0.52) OPRM1BACE1KMT2ATTRDPP4
SCHEMBL30967833 0.77 BACE1 (0.52) OPRM1BACE1KMT2ATTRDPP4
SCHEMBL15322548 0.77 BACE1 (0.49) OPRM1OPRD1OPRK1BACE1KMT2A
SCHEMBL4872645 0.76 OPRD1 (0.56) OPRM1OPRD1OPRK1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396179-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2024-07-10 — — EP disclosed
WO-2023034992-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2023-03-09 — — WO disclosed
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