SCHEMBL9531406

SCHEMBL9531406

CC(C)CCC1=C(C(=O)O)N(CC2CCCCC2)CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 7/20 0.37
AGTR1 P30556 5/20 0.34
MME P08473 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
AGTR2 P50052 1/20 0.33

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
SCHEMBL9535036 0.92 AGTR1 (0.37) BRS3AGTR1MMEAGTR2
SCHEMBL9704954 0.88 AGTR1 (0.34) BRS3AGTR1MMETMEM97SIGMAR1
SCHEMBL9532075 0.88 AGTR1 (0.33) BRS3AGTR1TMEM97SIGMAR1AGTR2
SCHEMBL9705039 0.87 AGTR1 (0.35) BRS3AGTR1AGTR2
SCHEMBL9705048 0.87 AGTR1 (0.34) BRS3AGTR1TMEM97SIGMAR1AGTR2
SCHEMBL9532052 0.87 BRS3 (0.38) BRS3AGTR1AGTR2
SCHEMBL9531392 0.84 AGTR1 (0.43) BRS3AGTR1MMEAGTR2
SCHEMBL9530415 0.83 BRS3 (0.35) BRS3AGTR1AGTR2
SCHEMBL9534731 0.83 AGTR1 (0.37) BRS3AGTR1AGTR2
SCHEMBL9530734 0.83 AGTR1 (0.47) AGTR1MMEAGTR2

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