SCHEMBL7999807

SCHEMBL7999807

C=C[C@@H]1CC1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Nc1nc(-c2ccccc2)cs1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.44
▸ KCNQ1 P51787 4/20 0.43
▸ SMN1; SMN2 Q16637 7/20 0.41
▸ LMNA P02545 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ ELANE P08246 2/20 0.39
▸ HTT P42858 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ ELOVL1 Q9BW60 1/20 0.38
▸ GSTO1 P78417 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ CASP1 P29466 1/20 0.37

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
SCHEMBL7987507 0.83 CNR2 (0.47) CNR2KCNQ1SMN1; SMN2LMNAALDH1A1
SCHEMBL17188712 0.78 — —
SCHEMBL7997452 0.75 TRPV1 (0.47) KCNQ1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL7997391 0.73 KCNQ1 (0.53) KCNQ1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL7997071 0.72 NPC1 (0.52) KCNQ1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL17188727 0.72 — —
SCHEMBL17188776 0.72 — —
SCHEMBL17188751 0.72 — —
SCHEMBL17188788 0.71 — —
SCHEMBL17188764 0.71 — —

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-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 — — WO disclosed
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