SCHEMBL7659514

SCHEMBL7659514

CCN(CCN1CCN(Cc2cc(Cl)cc(Cl)c2)C1=C(C#N)C#N)C(=O)c1ccc(CN2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 2/20 0.46
MCHR1 Q99705 1/20 0.41
HRH3 Q9Y5N1 4/20 0.39
OPRD1 P41143 2/20 0.39
OPRM1 P35372 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
SCHEMBL7655220 0.91 HRH3 (0.39) MCHR1HRH3OPRD1OPRM1
SCHEMBL7653613 0.86 HSD11B1 (0.35) RAPGEF3HRH3OPRD1
SCHEMBL7660195 0.84 HRH3 (0.47) RAPGEF3HRH3
SCHEMBL7654067 0.83 HRH3 (0.60) HRH3OPRD1OPRM1
SCHEMBL7658683 0.80 HRH3 (0.42) MCHR1HRH3OPRD1OPRM1
SCHEMBL6733733 0.77 RAPGEF3 (0.39) RAPGEF3MCHR1HRH3
SCHEMBL6734631 0.77 RAPGEF3 (0.38) RAPGEF3MCHR1HRH3
SCHEMBL7665084 0.76 HRH3 (0.34) HRH3OPRD1OPRM1
SCHEMBL7656218 0.75 HRH3 (0.47) HRH3
SCHEMBL6736042 0.75 RAPGEF3 (0.43) RAPGEF3MCHR1HRH3

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