SCHEMBL7997452

SCHEMBL7997452

CC(C)(C)[C@H](Nc1nc(-c2ccc(F)cc2)cs1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.47
▸ SCN9A Q15858 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KCNQ1 P51787 3/20 0.44
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PIK3CA P42336 8/20 0.43
▸ PIK3CD O00329 5/20 0.43
▸ PIK3CG P48736 4/20 0.43
▸ PIK3CB P42338 3/20 0.43
▸ PIK3C2B O00750 1/20 0.43
▸ ALOX5 P09917 1/20 0.42

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 0.91 CNR2 (0.47) TRPV1NPC1RAB9ASMN1; SMN2KCNQ1
SCHEMBL7997391 0.90 KCNQ1 (0.53) NPC1RAB9ASMN1; SMN2KCNQ1LMNA
SCHEMBL17188767 0.85 RAB9A (0.51) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL7997071 0.83 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KCNQ1LMNA
SCHEMBL17188760 0.83 UCHL1 (0.46) TRPV1KCNQ1PIK3CAPIK3CDPIK3CG
SCHEMBL7942699 0.81 THRB (0.46) SCN9APIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL17188788 0.77 — —
SCHEMBL17188738 0.75 PIK3CA (0.42) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C2B
SCHEMBL7999807 0.75 CNR2 (0.44) TRPV1NPC1RAB9ASMN1; SMN2KCNQ1
SCHEMBL7943694 0.72 ELANE (0.46) RAB9A

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-2265606-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 — — EP disclosed
WO-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 — — WO disclosed
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