SCHEMBL5751383

SCHEMBL5751383

CC(C)C(C#N)(CCCN1CCN(CCOc2ccc(F)cc2O)CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.48
CCR1 P32246 2/20 0.41
CACNA1G O43497 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 2/20 0.39
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
CCR3 P51677 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCB1 P08183 1/20 0.37
KDM1A O60341 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 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
SCHEMBL5753172 0.89 CACNA1B (0.47) CACNA1BCCR1CACNA1GLMNAPOLB
SCHEMBL5753652 0.89 CACNA1B (0.56) CACNA1BLMNAKDM4EABCB1
SCHEMBL5754627 0.87 CACNA1B (0.46) CACNA1BCCR1CACNA1GLMNASLC6A4
SCHEMBL5751449 0.87 KDM4E (0.48) CACNA1BCCR1CACNA1GLMNAPOLB
SCHEMBL2866236 0.85 CACNA1B (0.52) CACNA1BCCR1CACNA1GLMNAMEN1
SCHEMBL5753351 0.84 CACNA1B (0.52) CACNA1BCACNA1GLMNAMEN1EBP
Hydrochloric Acid SCHEMBL5754015 0.84 CACNA1B (0.53) CACNA1BCCR1CACNA1GLMNAMEN1
SCHEMBL5753788 0.84 CACNA1G (0.46) CACNA1BCCR1CACNA1GSLC6A4SLC6A3
SCHEMBL5753291 0.83 CACNA1B (0.48) CACNA1BCCR1LMNAPOLBMEN1
SCHEMBL5749773 0.83 CACNA1B (0.48) CACNA1BCACNA1GLMNAPOLBMEN1

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 6 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 claimed
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 claimed
EP-1099692-A1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2001-05-16 EP claimed
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
EP-1099692-A1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2001-05-16 EP disclosed