SCHEMBL9704062

SCHEMBL9704062

CCCCc1nc2ccc(NCC3CCCCC3)nc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.60
AGTR2 P50052 3/20 0.60
MME P08473 2/20 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
SCHEMBL9704065 0.89 TLR7 (0.49) AGTR1AGTR2MME
SCHEMBL9704449 0.89 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9705249 0.88 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL9704739 0.87 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL9704470 0.86 AGTR1 (0.75) AGTR1AGTR2
SCHEMBL9704919 0.86 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9703993 0.86 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9704646 0.85 AGTR2 (0.46) AGTR1AGTR2MME
SCHEMBL9704108 0.85 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL9704365 0.84 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 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