SCHEMBL9704040

SCHEMBL9704040

CCCc1nc2ccc(NCC(C)C)nc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.53
AGTR2 P50052 6/20 0.53

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
SCHEMBL9705013 0.86 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9406514 0.85 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL9851414 0.84 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9646329 0.84 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9704723 0.83 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9851509 0.82 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9851523 0.82 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9851488 0.81 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8972057 0.81 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL9704435 0.81 AGTR1 (0.48) 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
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed