SCHEMBL30489402

SCHEMBL30489402

NC(=O)c1cc(N2CC(F)(F)C2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 11/20 0.39
▸ SCN10A Q9Y5Y9 3/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ MC3R P41968 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ PROKR1 Q8TCW9 1/20 0.35
▸ SCN9A Q15858 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
SCHEMBL30489430 0.79 USP30 (0.47) SCN10ATSHRCASP1HSD17B10
SCHEMBL30489405 0.76 OPRM1 (0.39) OPRM1ADORA3TSHRMC4RADRA1A
SCHEMBL15511394 0.75 HRH4 (0.54) HSD17B10
SCHEMBL27691156 0.75 HRH4 (0.50) CYP2C9SCN9A
SCHEMBL15743130 0.75 LNPEP (0.39) LRRK2PROKR1
SCHEMBL17115674 0.74 LNPEP (0.38) LRRK2CYP2C9PROKR1
SCHEMBL31107041 0.73 LRRK2 (0.35) LRRK2PROKR1
SCHEMBL26684427 0.73 ACACB (0.42) OPRM1NR1H2NR1H3
SCHEMBL31565292 0.72 HTT (0.52) —
SCHEMBL15289493 0.72 CDK1 (0.50) OPRM1LRRK2NR1H2NR1H3

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-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
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