SCHEMBL5753392

SCHEMBL5753392

CC(C)C(C#N)(CCC=O)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
EBP Q15125 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
ADRB2 P07550 3/20 0.31
ADRB1 P08588 3/20 0.31
ADRB3 P13945 3/20 0.31
CYP3A4 P08684 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
SCHEMBL8751246 0.84 L3MBTL1 (0.61) L3MBTL1EBPSIGMAR1
SCHEMBL10638033 0.84 L3MBTL1 (0.42) L3MBTL1EBPSIGMAR1
SCHEMBL10634290 0.83 L3MBTL1 (0.44) L3MBTL1EBPSIGMAR1
SCHEMBL10631498 0.83 L3MBTL1 (0.44) L3MBTL1EBPSIGMAR1ADRB2ADRB1
SCHEMBL10631515 0.81 L3MBTL1 (0.42) L3MBTL1EBPSIGMAR1CYP3A4
SCHEMBL7310593 0.80 EBP (0.51) L3MBTL1EBPSIGMAR1CYP3A4
SCHEMBL5752959 0.80 EBP (0.51) L3MBTL1EBPSIGMAR1CYP3A4
SCHEMBL7129611 0.80 L3MBTL1 (0.43) L3MBTL1EBPSIGMAR1
SCHEMBL7972441 0.79 L3MBTL1 (0.51) L3MBTL1EBPSIGMAR1CYP3A4
SCHEMBL5754384 0.77 EBP (0.38) L3MBTL1EBPSIGMAR1CYP3A4

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