SCHEMBL7656388

SCHEMBL7656388

CCN(CCN1CCN(Cc2cccc3ccccc23)C1=C(C#N)C#N)Cc1cccc(CN2CCCCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.65
DPP8 Q6V1X1 1/20 0.37
NPFFR1 Q9GZQ6 4/20 0.37
NPFFR2 Q9Y5X5 4/20 0.37
OPRM1 P35372 3/20 0.37
OPRK1 P41145 3/20 0.37
OPRD1 P41143 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL7656338 0.95 HRH3 (0.66) HRH3DPP8NPFFR1NPFFR2OPRM1
SCHEMBL7659427 0.93 HRH3 (0.67) HRH3NPFFR1NPFFR2OPRM1OPRK1
SCHEMBL7657287 0.93 HRH3 (0.64) HRH3NPFFR1NPFFR2OPRM1OPRK1
SCHEMBL7661605 0.90 HRH3 (0.64) HRH3DPP8NPFFR1NPFFR2OPRM1
SCHEMBL7663692 0.88 HRH3 (0.67) HRH3DPP8NPFFR1NPFFR2OPRL1
SCHEMBL7665094 0.87 HRH3 (0.60) HRH3DPP8NPFFR1NPFFR2OPRM1
SCHEMBL7662209 0.86 HRH3 (0.59) HRH3DPP8NPFFR1NPFFR2OPRM1
SCHEMBL7654053 0.85 HRH3 (0.60) HRH3NPFFR1NPFFR2OPRM1OPRK1
SCHEMBL7654578 0.85 HRH3 (0.65) HRH3NPFFR1NPFFR2OPRL1
SCHEMBL7663686 0.85 HRH3 (0.65) HRH3DPP8NPFFR1NPFFR2OPRL1

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
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