SCHEMBL7466358

SCHEMBL7466358

CCn1c(C)cc(-c2nnn[nH]2)c1-c1ccc(COc2cc(C)nc3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
ADAM17 P78536 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7474692 0.89 AGTR1 (0.43) AGTR1AGTR2ADAM17
SCHEMBL6635318 0.85 AGTR1 (0.54) AGTR1AGTR2
Hydrochloric Acid SCHEMBL7840690 0.84 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL7579266 0.79 MAPT (0.47) AGTR1AGTR2ADAM17
Hydrochloric Acid SCHEMBL9181040 0.76 AGTR1 (0.45) AGTR1AGTR2KDM4E
SCHEMBL2142522 0.76 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL29681307 0.76 AGTR1 (0.70) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9180925 0.76 ADAM17 (0.40) AGTR1AGTR2ADAM17
SCHEMBL9597785 0.76 MAP2K4 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL4126842 0.75 AGTR1 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993016071-A1 HETEROCYCLIC DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-19 WO disclosed