SCHEMBL9853638

SCHEMBL9853638

CCCCc1nc2ncncc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.50
AGTR2 P50052 6/20 0.50

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
SCHEMBL9851473 0.89 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9853663 0.88 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9853661 0.86 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9853659 0.86 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9853658 0.85 AGTR1 (0.57) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL9313883 0.84 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9851484 0.84 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9704704 0.83 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8393351 0.83 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL9853665 0.83 AGTR1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP claimed
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed