SCHEMBL9701476

SCHEMBL9701476

CCCc1cc2c(C)ccnc2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.54
AGTR2 P50052 5/20 0.54
AGT P01019 2/20 0.46
PPARG P37231 1/20 0.37

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
SCHEMBL9702222 0.87 AGTR1 (0.57) AGTR1AGTR2AGTPPARG
SCHEMBL589248 0.79 AGTR2 (0.59) AGTR1AGTR2AGT
SCHEMBL9702808 0.79 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9851487 0.79 AGTR1 (0.63) AGTR1AGTR2AGTPPARG
SCHEMBL9727849 0.78 PPARG (0.62) AGTR1AGTR2PPARG
SCHEMBL9263837 0.77 AGT (0.57) AGTR1AGTR2AGT
SCHEMBL9455402 0.77 AGTR1 (0.59) AGTR1AGTR2AGTPPARG
SCHEMBL9402017 0.76 AGTR1 (0.69) AGTR1AGTR2AGTPPARG
SCHEMBL9851410 0.76 AGTR1 (0.64) AGTR1AGTR2AGTPPARG
SCHEMBL9854421 0.76 AGTR1 (0.62) AGTR1AGTR2AGT

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
EP-0497516-A1 Substituted pyrrolo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1992-08-05 EP disclosed
US-5124335-A Hypotensive agents, antiglaucoma agents MERCK & CO., INC. (US) 1992-06-23 US disclosed