SCHEMBL8912814

SCHEMBL8912814

CCCCC(c1ccc(C(F)(F)F)cc1)n1ccc2cc(-c3ccccc3C#N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.43
SLC6A2 P23975 1/20 0.39
PPARG P37231 1/20 0.38
NR3C1 P04150 1/20 0.37
PTPN5 P54829 1/20 0.35
ERBB2 P04626 3/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
OPRK1 P41145 2/20 0.34
AR P10275 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL8912240 0.80 CMKLR1 (0.47) GCGR
SCHEMBL8932022 0.74 SLC6A2 (0.42) GCGRSLC6A2AR
SCHEMBL19922853 0.74 GCGR (0.59) GCGRSLC6A2
SCHEMBL19922870 0.73 GCGR (0.58) GCGRSLC6A2
SCHEMBL8911829 0.72 CMKLR1 (0.44) PPARG
SCHEMBL19923021 0.71 GCGR (0.55) GCGR
SCHEMBL19922788 0.71 GCGR (0.61) GCGRSLC6A2
SCHEMBL7020261 0.70 PPARG (0.36) PPARGNR3C1AR
SCHEMBL19922811 0.69 GCGR (0.78) GCGR
SCHEMBL19922764 0.69 GCGR (0.77) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed