SCHEMBL7187183

SCHEMBL7187183

O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.60
ALDH1A1 P00352 3/20 0.51
WNK1 Q9H4A3 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
APP P05067 1/20 0.47
MAPT P10636 6/20 0.46
MAPK1 P28482 3/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
PSMD14 O00487 1/20 0.45
LMNA P02545 1/20 0.45
KCNMA1 Q12791 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7187179 1.00 HCAR3 (0.60) HCAR3ALDH1A1WNK1L3MBTL1APP
SCHEMBL2728614 0.93 HCAR3 (0.64) HCAR3ALDH1A1WNK1L3MBTL1APP
SCHEMBL7541568 0.86 HCAR3 (0.64) HCAR3ALDH1A1WNK1L3MBTL1MAPT
SCHEMBL17675674 0.84 HCAR3 (0.55) HCAR3ALDH1A1WNK1L3MBTL1APP
SCHEMBL7180257 0.83 HCAR3 (0.60) HCAR3ALDH1A1WNK1L3MBTL1MAPT
SCHEMBL21293972 0.83 HCAR3 (0.60) HCAR3ALDH1A1WNK1L3MBTL1MAPT
SCHEMBL7180261 0.83 HCAR3 (0.60) HCAR3ALDH1A1WNK1L3MBTL1MAPT
SCHEMBL21294007 0.83 HCAR3 (0.60) HCAR3ALDH1A1WNK1L3MBTL1MAPT
SCHEMBL20096272 0.83 HCAR3 (0.60) HCAR3ALDH1A1WNK1L3MBTL1MAPT
SCHEMBL29741389 0.83 HCAR3 (0.60) HCAR3ALDH1A1WNK1L3MBTL1MAPT

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
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed