SCHEMBL16770636

SCHEMBL16770636

CC[C@@H](C)c1ccc(Cl)c(C2CC2)n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ S1PR3 Q99500 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ CDK9 P50750 1/20 0.30

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
SCHEMBL16770731 1.00 PPARA (0.32) PPARASCN9ANPSR1S1PR3ALDH1A1
SCHEMBL16771234 0.83 SCN9A (0.33) SCN9AS1PR3
SCHEMBL17062222 0.81 SCN9A (0.37) SCN9AS1PR3
SCHEMBL17069230 0.80 SCN9A (0.32) SCN9AS1PR3
SCHEMBL17069222 0.80 SCN9A (0.32) SCN9AS1PR3
SCHEMBL18400082 0.73 OPRL1 (0.32) —
SCHEMBL28209656 0.70 PDE10A (0.38) —
SCHEMBL23159261 0.69 — —
SCHEMBL4585034 0.65 CCR1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL22576353 0.65 MAPK9 (0.36) ALDH1A1

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
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 — — WO disclosed
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