SCHEMBL21941926

SCHEMBL21941926

CN1c2cc(-c3ccccc3)ccc2CC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 1/20 0.50
▸ HSD17B3 P37058 1/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ ACE P12821 3/20 0.41

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
SCHEMBL27867409 0.85 AGTR2 (0.52) AGTR2HSD17B3OPRM1OPRD1OPRK1
SCHEMBL4278365 0.81 ACE (0.54) ACE
SCHEMBL5847071 0.81 ACE (0.54) ACE
SCHEMBL5847068 0.81 ACE (0.54) ACE
SCHEMBL28340121 0.78 NOTUM (0.38) HSD17B3
SCHEMBL27867498 0.75 AGTR2 (0.51) AGTR2HSD17B3OPRM1OPRD1OPRK1
SCHEMBL27883889 0.74 AGTR2 (0.43) AGTR2
Guanidine SCHEMBL8691609 0.73 ACE (0.47) ACE
SCHEMBL27883822 0.73 OPRD1 (0.43) AGTR2OPRM1OPRD1OPRK1
SCHEMBL27883815 0.73 MMP8 (0.43) AGTR2HSD17B3

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
EP-3636637-A1 INHIBITING FATTY ACID SYNTHASE (FASN) Forma Therapeutics, Inc. (US) 2020-04-15 — — EP disclosed
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