SCHEMBL5754449

SCHEMBL5754449

CC(C)C(C#N)(CCCN1CCN(CCN(C)c2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
EBP Q15125 2/20 0.48
CCR1 P32246 2/20 0.44
CACNA1G O43497 1/20 0.42
CCR3 P51677 1/20 0.41
CACNA1B Q00975 2/20 0.40
HTR7 P34969 1/20 0.40
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5752126 0.86 SIGMAR1 (0.42) SIGMAR1EBPCCR1CACNA1GCCR3
SCHEMBL5753314 0.86 ACHE (0.45) SIGMAR1EBPCCR1CACNA1GCACNA1B
SCHEMBL5751902 0.84 SIGMAR1 (0.42) SIGMAR1EBPCCR1CACNA1GCCR3
SCHEMBL5753240 0.84 SIGMAR1 (0.45) SIGMAR1EBPCCR1CACNA1GCCR3
SCHEMBL14431859 0.84 CCR3 (0.54) SIGMAR1EBPCCR1CCR3CACNA1B
SCHEMBL21023241 0.83 SIGMAR1 (0.52) SIGMAR1EBPCCR1CACNA1GCCR3
SCHEMBL11932001 0.83 SIGMAR1 (0.52) SIGMAR1EBPCCR1CACNA1GCCR3
SCHEMBL5751875 0.82 HTR1A (0.54) SIGMAR1CACNA1GCACNA1BHTR7
SCHEMBL5751414 0.82 CCR1 (0.45) SIGMAR1EBPCCR1CACNA1GCCR3
SCHEMBL5240018 0.81 RAB9A (0.52) SIGMAR1EBPCCR1CCR3CACNA1B

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