SCHEMBL19970009

SCHEMBL19970009

Cc1ccc(C(CCC2CCC2)n2ccc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.47
ERBB2 P04626 3/20 0.40
CCR3 P51677 2/20 0.35
MDM2 Q00987 1/20 0.34
P2RX3 P56373 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
OPRK1 P41145 1/20 0.33
SLC6A2 P23975 1/20 0.32
GLP1R P43220 1/20 0.32

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
SCHEMBL19922897 0.87 GCGR (0.55) GCGRSLC6A2
SCHEMBL19923020 0.86 GCGR (0.54) GCGR
SCHEMBL19940308 0.85 GCGR (0.45) GCGR
SCHEMBL19940307 0.82 GCGR (0.43) GCGR
SCHEMBL19922880 0.81 GCGR (0.73) GCGR
SCHEMBL19922909 0.81 GCGR (0.61) GCGR
SCHEMBL19940306 0.80 GCGR (0.63) GCGR
SCHEMBL19922922 0.79 GCGR (0.73) GCGR
SCHEMBL19922851 0.79 GCGR (0.72) GCGR
SCHEMBL19940309 0.78 GCGR (0.52) 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