SCHEMBL9854286

SCHEMBL9854286

CCCCCN(Cc1ccc(-c2ccccc2C#N)cc1)c1nc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.44
AGTR2 P50052 5/20 0.44
TXNRD1 Q16881 9/20 0.41
GSR P00390 1/20 0.40
AVPR2 P30518 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
APLNR P35414 1/20 0.36
PPARG P37231 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL9854274 0.89 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9854329 0.89 AGTR1 (0.42) AGTR1AGTR2ACHE
SCHEMBL9854279 0.84 LTB4R2 (0.46) AGTR1
SCHEMBL9854360 0.84 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9854242 0.80 AGTR1 (0.46) AGTR1AGTR2ACHE
SCHEMBL9194229 0.78 CMKLR1 (0.42) AGTR1AGTR2OXTRAVPR1A
SCHEMBL9854296 0.78 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9042486 0.77 TXNRD1 (0.39) TXNRD1GSR
SCHEMBL9197099 0.76 CMKLR1 (0.42) AGTR1AGTR2OXTRAVPR1A
SCHEMBL9854253 0.76 AGTR1 (0.45) AGTR1AGTR2ACHE

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-0426021-A1 Condensed imidazole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-08 EP disclosed