SCHEMBL10122903

SCHEMBL10122903

CCN(Cc1ccc(CN2CCCCC2)cc1)CN1CCN(C(=O)c2cc(C)cc(C)c2)C1=C(C#N)C#N

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.43
RAPGEF3 O95398 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL14307867 0.92 HRH3 (0.43) HRH3RAPGEF3KMT2AKDM4EMEN1
SCHEMBL7657972 0.92 HRH3 (0.42) HRH3
SCHEMBL10107170 0.81 HRH3 (0.39) HRH3RAPGEF3
SCHEMBL7655220 0.71 HRH3 (0.39) HRH3
SCHEMBL7660195 0.70 HRH3 (0.47) HRH3RAPGEF3KMT2AKDM4EMEN1
SCHEMBL7664998 0.67 HRH3 (0.50) HRH3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL7659427 0.65 HRH3 (0.67) HRH3
SCHEMBL7655188 0.61 HRH3 (0.42) HRH3
SCHEMBL13959144 0.60 HRH3 (0.67) HRH3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL4046381 0.58 HDAC1 (0.56) HRH3RAPGEF3KDM4EALDH1A1HPGD

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-1858895-B1 PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORP (US) 2012-06-20 EP disclosed