SCHEMBL5755883

SCHEMBL5755883

CC(C)C(C#N)(CCCN1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)CC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CCR3 P51677 2/20 0.44
CACNA1B Q00975 3/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNA3 P22001 1/20 0.39
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RORC P51449 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
MEN1 O00255 1/20 0.35
CCR1 P32246 2/20 0.35

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
SCHEMBL5753149 0.86 EBP (0.53) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL5753610 0.83 EBP (0.49) EBPSIGMAR1CCR3CACNA1BGAA
SCHEMBL14431859 0.82 CCR3 (0.54) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL5752126 0.80 SIGMAR1 (0.42) EBPSIGMAR1CCR3CACNA1BMEN1
SCHEMBL5237846 0.80 SIGMAR1 (0.60) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL5239794 0.80 SIGMAR1 (0.60) EBPSIGMAR1CCR3KCNA3
SCHEMBL5240018 0.80 RAB9A (0.52) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL5751857 0.80 EBP (0.49) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL14431920 0.79 RAB9A (0.58) EBPSIGMAR1CCR3CACNA1BKCNA3
SCHEMBL14431854 0.79 SIGMAR1 (0.51) 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 5 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