SCHEMBL8074358

SCHEMBL8074358

CC(=O)Nc1cc(N2CCC(C(O)CO)CC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 7/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPT P10636 11/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 4/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8073995 0.84 GPR174 (0.54) GPR174ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL8103160 0.80 MAPT (0.62) GPR174ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL8070760 0.79 MAPT (0.50) GPR174ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL8074360 0.76 GPR174 (0.45) GPR174ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL6166846 0.71 MAPT (0.59) GPR174ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL1425030 0.71 MAPT (0.55) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL9302533 0.70 GPR174 (0.67) GPR174ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL14217252 0.70 ALDH1A1 (0.70) GPR174ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL9904163 0.70 ALDH1A1 (0.53) GPR174ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL8068840 0.69 GPR174 (0.43) GPR174ALDH1A1MAPTMAPK1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US disclosed
EP-0983263-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-08 EP disclosed
WO-1998054172-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-12-03 WO disclosed