SCHEMBL7658659

SCHEMBL7658659

N#CC(C#N)=C1N(CCSCc2ccc(CN3CCCCC3)cc2)CCN1Cc1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.68
NPFFR1 Q9GZQ6 4/20 0.38
NPFFR2 Q9Y5X5 4/20 0.38
OPRM1 P35372 3/20 0.38
OPRK1 P41145 3/20 0.38
RAB9A P51151 1/20 0.37
OPRL1 P41146 1/20 0.37
OPRD1 P41143 1/20 0.37
TSHR P16473 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
SCHEMBL7663832 0.93 HRH3 (0.66) HRH3NPFFR1NPFFR2OPRM1OPRK1
SCHEMBL7666593 0.91 HRH3 (0.71) HRH3OPRL1TSHR
SCHEMBL7654048 0.84 HRH3 (0.68) HRH3NPFFR1NPFFR2OPRM1OPRK1
SCHEMBL7655725 0.82 HRH3 (0.66) HRH3NPFFR1NPFFR2OPRM1OPRK1
SCHEMBL7659427 0.81 HRH3 (0.67) HRH3NPFFR1NPFFR2OPRM1OPRK1
SCHEMBL7669477 0.80 HRH3 (0.49) HRH3TSHR
SCHEMBL7666194 0.79 HRH3 (0.47) HRH3
SCHEMBL7656338 0.79 HRH3 (0.66) HRH3NPFFR1NPFFR2OPRM1OPRK1
SCHEMBL7654067 0.78 HRH3 (0.60) HRH3NPFFR1NPFFR2OPRM1OPRK1
SCHEMBL7654584 0.78 HRH3 (0.60) HRH3NPFFR1NPFFR2OPRM1OPRK1

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-6495569-B1 CHEMOKINE ANTAGONISTS; TREATING DISEASE ASSOCIATED WITH INFLAMMATION AND/OR PATHOGENIC LEUKOCYTE RECRUITMENT AND/OR ACTIVATION MILLENNIUM PHARMACEUTICALS, INC. 2002-12-17 US disclosed