SCHEMBL5756041

SCHEMBL5756041

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.38
CACNA1G O43497 4/20 0.37
SIGMAR1 Q99720 2/20 0.35
CCR3 P51677 1/20 0.35
MEN1 O00255 1/20 0.34
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL5751902 0.81 SIGMAR1 (0.42) CCR1CACNA1GSIGMAR1CCR3MEN1
SCHEMBL5749643 0.66 POLB (0.46) CCR1CACNA1GSIGMAR1CCR3MEN1
SCHEMBL5752126 0.65 SIGMAR1 (0.42) CCR1CACNA1GSIGMAR1CCR3MEN1
SCHEMBL5754225 0.64 CCR1 (0.52) CCR1SIGMAR1MEN1
SCHEMBL5754449 0.64 SIGMAR1 (0.48) CCR1CACNA1GSIGMAR1CCR3
SCHEMBL5752536 0.64 CCR1 (0.41) CCR1CACNA1GSIGMAR1CCR3MEN1
SCHEMBL5617444 0.63 HTR7 (0.49) CACNA1GSIGMAR1
SCHEMBL5753240 0.63 SIGMAR1 (0.45) CCR1CACNA1GSIGMAR1CCR3MEN1
SCHEMBL5617293 0.63 SIGMAR1 (0.59) SIGMAR1
SCHEMBL5617456 0.63 KCNH2 (0.55) SIGMAR1

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 1 patent. 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 disclosed