SCHEMBL9532373

SCHEMBL9532373

CCCC1=C(C(F)F)N(C2CCCCC2)CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 3/20 0.35
AGTR1 P30556 4/20 0.34
AGTR2 P50052 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.32

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
SCHEMBL9533751 0.95 AGTR1 (0.37) AGTR1AGTR2LTB4R2
SCHEMBL9531695 0.87 AGTR1 (0.37) AGTR1AGTR2LTB4R2
SCHEMBL9535320 0.87 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9530850 0.87 AGTR1 (0.35) SLC33A1AGTR1AGTR2
SCHEMBL9534123 0.84 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9531346 0.84 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9534113 0.83 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9532142 0.82 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9530533 0.82 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9532201 0.81 AGTR1 (0.33) SLC33A1AGTR1AGTR2LTB4R2

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 4 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
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