SCHEMBL9854346

SCHEMBL9854346

N#Cc1ccccc1-c1ccc(CN(C(=O)C2CCCCC2)c2ncccc2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
NR1H4 Q96RI1 14/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL9854247 0.96 AGTR1 (0.42) LMNASMN1; SMN2AGTR1AGTR2NR1H4
SCHEMBL8874537 0.81 NR1H4 (0.42) LMNASMN1; SMN2AGTR1AGTR2NR1H4
SCHEMBL9854356 0.80 LTB4R2 (0.48) AGTR1AGTR2TP53RXFP1
SCHEMBL8872918 0.80 AGTR1 (0.42) AGTR1AGTR2TP53KDM4ERXFP1
SCHEMBL8949943 0.77 OXTR (0.39) NR1H4OXTRAVPR1A
SCHEMBL8872195 0.77 NR1H4 (0.38) NR1H4OXTRAVPR1A
SCHEMBL8872931 0.76 ABL1 (0.37) NR1H4OXTRAVPR1A
SCHEMBL8872980 0.76 OXTR (0.39) NR1H4OXTRAVPR1A
SCHEMBL8884587 0.75 AGTR1 (0.49) LMNAAGTR1AGTR2TP53KDM4E
SCHEMBL8872708 0.75 OXTR (0.37) NR1H4OXTRAVPR1AKDM4E

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