SCHEMBL5514682

SCHEMBL5514682

CCc1ccc(C(=O)N(c2ccccc2)c2ccc(OCCN3CCN(c4cccc5[nH]c(-c6ccc(CC)cc6)nc45)CC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 10/20 0.58
PARP1 P09874 2/20 0.48
DHODH Q02127 1/20 0.48
DRD3 P35462 5/20 0.46
DRD2 P14416 4/20 0.46
ACHE P22303 2/20 0.43
CDK2 P24941 1/20 0.42
PRKCZ Q05513 1/20 0.42

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
SCHEMBL5510727 0.89 GNRHR (0.61) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5508021 0.87 GNRHR (0.55) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5505241 0.87 GNRHR (0.64) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5508028 0.86 GNRHR (0.55) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5509131 0.85 GNRHR (0.57) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5505197 0.85 GNRHR (0.58) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5511248 0.85 GNRHR (0.63) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5512342 0.84 GNRHR (0.68) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5999615 0.84 GNRHR (0.61) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL6001622 0.84 GNRHR (0.58) GNRHRPARP1DHODHDRD3DRD2

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-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP disclosed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 WO disclosed