SCHEMBL5754086

SCHEMBL5754086

CC(C)C(C#N)(CCC=O)c1cccs1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
EBP Q15125 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
KMT2A Q03164 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MAPT P10636 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
SCHEMBL5229329 0.81 DPP4 (0.34) CTSCL3MBTL1EBPSIGMAR1KMT2A
SCHEMBL5226414 0.80 CTSC (0.36) CTSCL3MBTL1EBPSIGMAR1CTSS
SCHEMBL14432518 0.80 CTSC (0.36) CTSCL3MBTL1EBPSIGMAR1CTSS
SCHEMBL5235546 0.79 L3MBTL1 (0.39) CTSCL3MBTL1EBPSIGMAR1KMT2A
SCHEMBL5227717 0.79 L3MBTL1 (0.39) L3MBTL1EBPSIGMAR1KMT2AMAPT
SCHEMBL14432523 0.77 CTSC (0.37) CTSCL3MBTL1KMT2ACTSSCTSK
SCHEMBL10638042 0.77 L3MBTL1 (0.38) L3MBTL1
SCHEMBL14432577 0.77 RAB9A (0.43) L3MBTL1MAPT
SCHEMBL5752959 0.77 EBP (0.51) L3MBTL1EBPSIGMAR1KMT2AMAPT
SCHEMBL7310593 0.77 EBP (0.51) L3MBTL1EBPSIGMAR1KMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1099692-B1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2006-05-03 EP disclosed
US-6737425-B1 SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS EISAI CO., LTD. (JP) 2004-05-18 US disclosed
CN-1310709-A N, N-substituted cyclic amine derivatives EISAI CO LTD (JP) 2001-08-29 CN disclosed
EP-1099692-A1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2001-05-16 EP disclosed