SCHEMBL4688299

SCHEMBL4688299

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(C5CCCC5)CC4)cc3)cc2C)cc1.CCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4)c(C)c3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.47

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
SCHEMBL4233555 0.95 HRH3 (0.47) HRH3
SCHEMBL4238778 0.94 SMN1; SMN2 (0.43) HRH3
SCHEMBL4232179 0.94 HRH3 (0.49) HRH3
SCHEMBL4237761 0.92 HRH3 (0.44) HRH3
SCHEMBL4690069 0.91 SMN1; SMN2 (0.41) HRH3
SCHEMBL4236318 0.90 MCHR1 (0.39) HRH3
SCHEMBL4233740 0.90 MCHR1 (0.39) HRH3
SCHEMBL4236315 0.89 FGFR1 (0.43) HRH3
SCHEMBL4228695 0.88 MCHR1 (0.44) HRH3
SCHEMBL4238290 0.88 CSF1R (0.43)

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
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP claimed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO claimed