SCHEMBL9116350

SCHEMBL9116350

CCCCc1nc(-c2cnccn2)cn1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49
AGT P01019 2/20 0.46

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
SCHEMBL9025176 0.91 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL9025803 0.91 AGTR1 (0.52) AGTR1AGTR2AGT
SCHEMBL9025193 0.90 AGTR1 (0.49) AGTR1AGTR2AGT
SCHEMBL9117092 0.89 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL9114916 0.89 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL9025914 0.89 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL9024933 0.86 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL9113704 0.86 AGTR1 (0.53) AGTR1AGTR2AGT
SCHEMBL9116192 0.86 AGTR1 (0.47) AGTR1AGTR2AGT
SCHEMBL9026101 0.86 AGTR1 (0.50) 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
WO-1995022543-A1 DINITROGENATED HETEROCYCLIC DERIVATIVES HAVING AII-ANTAGONISTIC ACTIVITY LABORATORI GUIDOTTI S.P.A. (IT) 1995-08-24 WO claimed
WO-1995022543-A1 DINITROGENATED HETEROCYCLIC DERIVATIVES HAVING AII-ANTAGONISTIC ACTIVITY LABORATORI GUIDOTTI S.P.A. (IT) 1995-08-24 WO disclosed