SCHEMBL7850720

SCHEMBL7850720

CCCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.62
AGTR2 P50052 3/20 0.62
PPARG P37231 6/20 0.58
ALDH1A1 P00352 1/20 0.57
ENPP2 Q13822 1/20 0.57

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
SCHEMBL7851373 0.90 AGTR1 (0.75) AGTR1AGTR2PPARG
SCHEMBL10439197 0.88 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL7852258 0.88 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL8913133 0.87 ALDH1A1 (0.50) AGTR1AGTR2ALDH1A1ENPP2
SCHEMBL9195616 0.87 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL7843237 0.86 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL7851469 0.86 AGTR1 (0.62) AGTR1AGTR2PPARG
SCHEMBL7851885 0.86 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL7850660 0.86 ALDH1A1 (0.64) AGTR1AGTR2ALDH1A1ENPP2
SCHEMBL9571416 0.84 ALDH1A1 (0.49) AGTR1AGTR2ALDH1A1ENPP2

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
EP-0399731-B2 Azaindenes ASTRAZENECA AB (SE) 2001-07-11 EP disclosed
US-5470867-A Imidazoles and their salts having antagonistic activity to angiotesin II recetors ROUSSEL-UCLAF (FR) 1995-11-28 US disclosed
US-5338756-A Angiotensin II receptor antagonists ROUSSEL UCLAF (FR) 1994-08-16 US disclosed
EP-0399731-B1 Azaindenes ZENECA LTD (GB) 1993-12-08 EP disclosed
EP-0399731-A1 Azaindenes ZENECA LIMITED (GB) 1990-11-28 EP disclosed