SCHEMBL13864530

SCHEMBL13864530

CC(C)(C)c1ccc(-c2nc3ccnc(N4CCN(Cc5ccc(N)c(N)c5)CC4)c3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 19/20 0.51
TACR2 P21452 1/20 0.51
HRH2 P25021 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SLC2A1 P11166 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
SCHEMBL4464448 0.88 GNRHR (0.65) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4465985 0.85 GNRHR (0.63) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL13864558 0.82 GNRHR (0.46) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL13867370 0.81 GNRHR (0.45) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL13864531 0.80 GNRHR (0.43) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4468341 0.77 PRKCI (0.47) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4471830 0.76 GNRHR (0.78) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3279181 0.76 GNRHR (0.75) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL13324654 0.75 GNRHR (0.77) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4463451 0.73 GNRHR (0.75) 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
US-7538113-B2 4-substituted imidazo[4,5-c]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-26 US disclosed
US-7538113-B2 4-substituted imidazo[4,5-c]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-26 US disclosed