SCHEMBL14431920

SCHEMBL14431920

CC(C)C(C#N)(CCCN1CCN(C)CC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CHRM4 P08173 3/20 0.56
CHRM5 P08912 3/20 0.56
CHRM3 P20309 3/20 0.56
CHRM2 P08172 2/20 0.56
CHRM1 P11229 2/20 0.56
SIGMAR1 Q99720 3/20 0.54
EBP Q15125 2/20 0.54
CCR3 P51677 2/20 0.51
CACNA1B Q00975 2/20 0.47
KCNA3 P22001 4/20 0.44
CCR1 P32246 2/20 0.44

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
SCHEMBL14431859 0.96 CCR3 (0.54) RAB9ANPSR1CHRM4CHRM5CHRM3
SCHEMBL5240018 0.93 RAB9A (0.52) RAB9ANPSR1CHRM4CHRM5CHRM3
SCHEMBL14431854 0.92 SIGMAR1 (0.51) RAB9ANPSR1CHRM4CHRM5CHRM3
SCHEMBL5750440 0.90 CCR3 (0.52) RAB9ANPSR1CHRM4CHRM5CHRM3
SCHEMBL5754473 0.90 SIGMAR1 (0.49) RAB9ANPSR1CHRM4CHRM5CHRM3
SCHEMBL5239804 0.89 KCNA3 (0.60) RAB9ANPSR1CHRM4CHRM3SIGMAR1
SCHEMBL5237846 0.89 SIGMAR1 (0.60) RAB9ANPSR1CHRM4CHRM5CHRM3
SCHEMBL5239794 0.89 SIGMAR1 (0.60) SIGMAR1EBPCCR3KCNA3
SCHEMBL5235995 0.88 CHRM4 (0.54) RAB9ANPSR1CHRM4CHRM5CHRM3
SCHEMBL14431853 0.88 RAB9A (0.57) RAB9ANPSR1CHRM4CHRM5CHRM3

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-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed