SCHEMBL7656218

SCHEMBL7656218

CCN(CCN1CCN(Cc2cc(C)cc(C)c2)C1=C(C#N)C#N)Cc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.47
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7660195 0.91 HRH3 (0.47) HRH3KDM4EMEN1ALDH1A1GFER
SCHEMBL7657972 0.86 HRH3 (0.42) HRH3
SCHEMBL7655220 0.84 HRH3 (0.39) HRH3
SCHEMBL7655188 0.84 HRH3 (0.42) HRH3
SCHEMBL7659427 0.81 HRH3 (0.67) HRH3
SCHEMBL7664998 0.79 HRH3 (0.50) HRH3KDM4EMEN1ALDH1A1GFER
SCHEMBL10107170 0.78 HRH3 (0.39) HRH3
SCHEMBL10122903 0.77 HRH3 (0.43) HRH3KDM4EMEN1ALDH1A1GFER
SCHEMBL7656388 0.77 HRH3 (0.65) HRH3
SCHEMBL7659514 0.75 RAPGEF3 (0.46) HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002085861-A1 IMIDAZOLIDINE COMPOUNDS AND THEIR USE AS CXCR3 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-31 WO disclosed
US-6469002-B1 COMPOUNDS WHICH MODULATE CHEMOKINE RECEPTOR ACTIVITY AND ARE USEFUL IN TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. 2002-10-22 US disclosed