SCHEMBL5378841

SCHEMBL5378841

CCC(C)(c1ccc2nccnc2c1)N1CCN(c2cccc3[nH]c(-c4ccc(C(C)(C)C)cc4)nc23)C[C@@H]1C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.64
TACR2 P21452 1/20 0.64
HRH2 P25021 1/20 0.64
OPRM1 P35372 1/20 0.64
OPRD1 P41143 1/20 0.64
OPRK1 P41145 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64

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
SCHEMBL3275114 0.84 GNRHR (0.77) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3281396 0.84 GNRHR (0.77) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3274192 0.84 GNRHR (0.77) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3274330 0.81 GNRHR (0.75) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3278194 0.81 GNRHR (0.75) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3275492 0.81 GNRHR (0.60) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL13384626 0.79 GNRHR (0.62) GNRHR
SCHEMBL3275225 0.78 GNRHR (1.00) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL30416471 0.78 GNRHR (1.00) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5378837 0.78 GNRHR (0.53) GNRHRTACR2HRH2OPRM1OPRD1

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-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 WO disclosed