SCHEMBL9036879

SCHEMBL9036879

CCCc1c(CF)n(C2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.42
AGTR2 P50052 4/20 0.42
SLC33A1 O00400 3/20 0.42
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9530910 0.96 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9036273 0.92 AGTR1 (0.37) AGTR1AGTR2SLC33A1TSHRCRHBP
SCHEMBL9036216 0.91 AGTR1 (0.42) AGTR1AGTR2SLC33A1TSHRCRHBP
SCHEMBL9036752 0.90 AGTR1 (0.43) AGTR1AGTR2SLC33A1
SCHEMBL9035495 0.90 SLC33A1 (0.44) AGTR1AGTR2SLC33A1
SCHEMBL9035127 0.89 AGTR1 (0.42) AGTR1AGTR2SLC33A1
SCHEMBL9036143 0.89 AGTR1 (0.42) AGTR1AGTR2SLC33A1
SCHEMBL9036505 0.88 SLC33A1 (0.43) AGTR1AGTR2SLC33A1
SCHEMBL9553752 0.88 AGTR1 (0.45) AGTR1AGTR2SLC33A1
SCHEMBL9036137 0.87 AGTR1 (0.46) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555331-B1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 1996-04-24 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
EP-0555331-B1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 1996-04-24 EP disclosed
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
EP-0546102-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES. UPJOHN CO (US) 1993-06-16 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
US-5087634-A N-substituted imidazol-2-one compounds for treatment of circulatory disorders G. D. SEARLE & CO. (US) 1992-02-11 US disclosed