SCHEMBL18924576

SCHEMBL18924576

CN(C(=O)c1ccc(-c2cc3c(C#N)c[nH]c3cc2F)nc1)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 8/20 0.41
▸ POLB P06746 1/20 0.39
▸ FASN P49327 2/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.37
▸ SLC6A4 P31645 4/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36

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
SCHEMBL19391089 0.86 MAPK14 (0.46) EGLN1POLBFASNUSP30SLC6A4
SCHEMBL16323967 0.84 FASN (0.59) EGLN1FASN
SCHEMBL22259622 0.83 FASN (0.46) EGLN1FASNHTR2CKCNH2MCHR1
SCHEMBL19391173 0.80 FASN (0.48) EGLN1POLBFASNHTR2CKCNH2
SCHEMBL18924422 0.77 MCHR1 (0.45) EGLN1POLBFASNHTR2CKCNH2
SCHEMBL18924390 0.75 SLC6A4 (0.47) EGLN1POLBFASNUSP30SLC6A4
SCHEMBL19391174 0.72 POLB (0.44) EGLN1POLBFASNHTR2CKCNH2
SCHEMBL22259806 0.72 PRKAB2 (0.46) —
SCHEMBL16323465 0.71 FASN (0.66) FASNMAPK14
SCHEMBL18924393 0.70 FASN (0.51) EGLN1POLBFASNHTR2CKCNH2

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-3010916-B1 1,3-DIAMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-09-27 — — EP disclosed
US-9670142-B2 1,3-diaminocyclopentane carboxamide derivatives MERCK PATENT GMBH (DE) 2017-06-06 — — US disclosed
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