SCHEMBL5753149

SCHEMBL5753149

CC(C)N(CCN1CCN(CCCC(C#N)(c2ccccc2)C(C)C)CC1)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
CCR3 P51677 2/20 0.47
CACNA1B Q00975 3/20 0.43
KCNA3 P22001 3/20 0.41
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CCR1 P32246 3/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 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
SCHEMBL5755883 0.86 EBP (0.49) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL14431859 0.85 CCR3 (0.54) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL5753610 0.84 EBP (0.49) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL5237846 0.83 SIGMAR1 (0.60) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL5239794 0.83 SIGMAR1 (0.60) EBPSIGMAR1CCR3KCNA3
SCHEMBL5240018 0.83 RAB9A (0.52) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL5751857 0.83 EBP (0.49) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL14431920 0.82 RAB9A (0.58) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL14431854 0.82 SIGMAR1 (0.51) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL5754473 0.80 SIGMAR1 (0.49) EBPSIGMAR1CCR3CACNA1BKCNA3

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