SCHEMBL9532075

SCHEMBL9532075

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.33
AGTR2 P50052 3/20 0.33
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
BRS3 P32247 1/20 0.32
GRM2 Q14416 1/20 0.31
PPARG P37231 1/20 0.30

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
SCHEMBL9704954 0.91 AGTR1 (0.34) AGTR1AGTR2TMEM97SIGMAR1BRS3
SCHEMBL9705048 0.88 AGTR1 (0.34) AGTR1AGTR2TMEM97SIGMAR1BRS3
SCHEMBL9531406 0.88 BRS3 (0.37) AGTR1AGTR2TMEM97SIGMAR1BRS3
SCHEMBL9533032 0.85 AGTR1 (0.33) AGTR1AGTR2BRS3GRM2PPARG
SCHEMBL9532201 0.84 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9705092 0.82 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9530491 0.80 AGTR1 (0.32) AGTR1AGTR2GRM2
SCHEMBL9554005 0.79 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9531633 0.79 AGTR1 (0.32) AGTR1AGTR2GRM2
SCHEMBL9535036 0.78 AGTR1 (0.37) AGTR1AGTR2BRS3

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-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP disclosed