SCHEMBL5751902

SCHEMBL5751902

CC(C)C(C#N)(CCCN1CCN(CCS(=O)(=O)N(C)c2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.42
EBP Q15125 2/20 0.42
CCR1 P32246 2/20 0.41
CACNA1G O43497 1/20 0.41
CCR3 P51677 1/20 0.38
CACNA1B Q00975 2/20 0.38
MEN1 O00255 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL5749643 0.85 POLB (0.46) SIGMAR1EBPCCR1CACNA1GCCR3
SCHEMBL5754449 0.84 SIGMAR1 (0.48) SIGMAR1EBPCCR1CACNA1GCCR3
SCHEMBL5752126 0.84 SIGMAR1 (0.42) SIGMAR1EBPCCR1CACNA1GCCR3
SCHEMBL5752536 0.83 CCR1 (0.41) SIGMAR1EBPCCR1CACNA1GCCR3
SCHEMBL5753240 0.82 SIGMAR1 (0.45) SIGMAR1EBPCCR1CACNA1GCCR3
SCHEMBL5756041 0.81 CCR1 (0.38) SIGMAR1CCR1CACNA1GCCR3MEN1
SCHEMBL5753314 0.80 ACHE (0.45) SIGMAR1EBPCCR1CACNA1GCACNA1B
SCHEMBL14431859 0.80 CCR3 (0.54) SIGMAR1EBPCCR1CCR3CACNA1B
SCHEMBL21023241 0.80 SIGMAR1 (0.52) SIGMAR1EBPCCR1CACNA1GCCR3
SCHEMBL11932001 0.80 SIGMAR1 (0.52) SIGMAR1EBPCCR1CACNA1GCCR3

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