SCHEMBL7658318

SCHEMBL7658318

CCCNCc1ccc(CN(CC)CCN2CCN(Cc3cccc4ccccc34)C2=C(C#N)C#N)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.32
MAPK1 P28482 1/20 0.32
MC5R P33032 1/20 0.32
SMPD1 P17405 1/20 0.32
ALOX5 P09917 1/20 0.32
EPHX2 P34913 1/20 0.32
RAB9A P51151 1/20 0.31
CLPP Q16740 3/20 0.31

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
SCHEMBL7657546 0.88 HRH3 (0.69) HRH3DPP4MAPK1
SCHEMBL7652819 0.88 HRH3 (0.77) HRH3MAPK1
SCHEMBL7665250 0.88 HRH3 (0.71) HRH3CLPP
SCHEMBL7655864 0.86 HRH3 (0.72) HRH3L3MBTL1MAPK1RAB9A
SCHEMBL7663692 0.85 HRH3 (0.67) HRH3MAPK1RAB9A
SCHEMBL7659427 0.85 HRH3 (0.67) HRH3RAB9A
SCHEMBL7654578 0.84 HRH3 (0.65) HRH3L3MBTL1MAPK1RAB9A
SCHEMBL7663686 0.84 HRH3 (0.65) HRH3MAPK1RAB9A
SCHEMBL7655188 0.82 HRH3 (0.42) HRH3
SCHEMBL7660585 0.81 HRH3 (0.62) 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