SCHEMBL8912240

SCHEMBL8912240

CCCCC(c1ccc(C(F)(F)F)cc1)n1ccc2cc(-c3ccccc3-c3nn[nH]n3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 4/20 0.47
AGTR1 P30556 4/20 0.44
AGTR2 P50052 4/20 0.44
GCGR P47871 2/20 0.42
CXCR4 P61073 3/20 0.41

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
SCHEMBL8911829 0.92 CMKLR1 (0.44) CMKLR1AGTR1AGTR2
SCHEMBL8931840 0.80 CMKLR1 (0.45) CMKLR1AGTR1AGTR2CXCR4
SCHEMBL8912814 0.80 GCGR (0.43) GCGR
SCHEMBL7017865 0.77 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL7020436 0.76 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7019155 0.74 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL19922853 0.73 GCGR (0.59) GCGR
SCHEMBL7020684 0.72 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7019881 0.72 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7020676 0.72 AGTR1 (0.46) AGTR1AGTR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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