SCHEMBL18874188

SCHEMBL18874188

CC(C)(C)CCc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.51
▸ PDE2A O00408 2/20 0.39
▸ TRPV1 Q8NER1 4/20 0.38
▸ MAOB P27338 1/20 0.37
▸ DAO P14920 1/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ USP30 Q70CQ3 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
SCHEMBL13064211 0.81 IDO1 (0.54) IDO1PDE2AMAOBDAOTAAR1
SCHEMBL13021064 0.81 IDO1 (0.54) IDO1PDE2ADAOTAAR1CA1
SCHEMBL11910682 0.81 TRPV1 (0.44) IDO1PDE2ATRPV1DAOKIF11
SCHEMBL20472553 0.79 IDO1 (0.61) IDO1PDE2AMAOBDAOTAAR1
SCHEMBL3094588 0.79 TRPV1 (0.41) IDO1TRPV1MAOBDAOTAAR1
SCHEMBL12601634 0.79 IDO1 (0.51) IDO1PDE2ATRPV1MAOBDAO
SCHEMBL12561550 0.78 TAAR1 (0.41) TAAR1SLC6A4
Hydrochloric Acid SCHEMBL5178051 0.78 IDO1 (0.64) IDO1MAOBTAAR1CA1CA2
SCHEMBL27546311 0.78 IDO1 (0.54) IDO1PDE2AMAOBDAOTAAR1
SCHEMBL14402687 0.77 IDO1 (0.50) IDO1PDE2ATRPV1MAOBCYP3A4

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-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 — — EP disclosed
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