SCHEMBL7654048

SCHEMBL7654048

N#CC(C#N)=C1N(CCNCc2ccc(CN3CCCCC3)cc2)CCN1Cc1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.68
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
NPFFR1 Q9GZQ6 2/20 0.40
NPFFR2 Q9Y5X5 2/20 0.40
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL7658659 0.84 HRH3 (0.68) HRH3RAB9AOPRM1OPRK1NPFFR1
SCHEMBL7654584 0.83 HRH3 (0.60) HRH3RAB9AOPRM1OPRK1NPFFR1
SCHEMBL7655725 0.82 HRH3 (0.66) HRH3RAB9AOPRM1OPRK1NPFFR1
SCHEMBL7654001 0.81 HRH3 (0.64) HRH3L3MBTL1
SCHEMBL7659427 0.81 HRH3 (0.67) HRH3RAB9AOPRM1OPRK1NPFFR1
SCHEMBL7656135 0.79 HRH3 (0.67) HRH3L3MBTL1
SCHEMBL7663832 0.79 HRH3 (0.66) HRH3OPRM1OPRK1NPFFR1NPFFR2
SCHEMBL7656338 0.79 HRH3 (0.66) HRH3OPRM1OPRK1NPFFR1NPFFR2
SCHEMBL7654067 0.78 HRH3 (0.60) HRH3OPRM1OPRK1NPFFR1NPFFR2
SCHEMBL7666593 0.78 HRH3 (0.71) 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