SCHEMBL19970036

SCHEMBL19970036

C=C(C)c1ccc(C(CCCCCC)n2ccc3cc(-c4ccc(C)cc4)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
GCGR P47871 5/20 0.40
ICMT O60725 3/20 0.36
SLC6A2 P23975 1/20 0.35
CYP17A1 P05093 1/20 0.34

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
SCHEMBL22296636 0.92 HRH3 (0.47) HRH3GCGRICMTSLC6A2CYP17A1
SCHEMBL19940302 0.89 GCGR (0.45) HRH3GCGRICMT
SCHEMBL19940303 0.86 GCGR (0.43) HRH3GCGRICMT
SCHEMBL19922870 0.78 GCGR (0.58) GCGRSLC6A2
SCHEMBL19922853 0.77 GCGR (0.59) GCGRSLC6A2
SCHEMBL19923021 0.76 GCGR (0.55) GCGR
SCHEMBL9033452 0.76
SCHEMBL9033432 0.76
SCHEMBL19922764 0.73 GCGR (0.77) GCGR
SCHEMBL19922818 0.72 GCGR (0.63) GCGR

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
WO-2018048761-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 WO disclosed