SCHEMBL9533240

SCHEMBL9533240

C/C=C/Cc1cn(C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.38
AGTR2 P50052 4/20 0.38
KMT2A Q03164 1/20 0.36

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
SCHEMBL9533244 1.00 AGTR1 (0.38) AGTR1AGTR2KMT2A
SCHEMBL9554409 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9554407 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9734093 0.91 KMT2A (0.34) AGTR1AGTR2KMT2A
SCHEMBL9734099 0.91 KMT2A (0.34) AGTR1AGTR2KMT2A
SCHEMBL9554614 0.88 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9553748 0.88 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9553746 0.88 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9529754 0.87 AGTR1 (0.40) AGTR1AGTR2KMT2A
SCHEMBL9530953 0.86 AGTR1 (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5238952-A Treating glaucoma disorders G. D. SEARLE & CO. (US) 1993-08-24 US disclosed
EP-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP disclosed
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed