SCHEMBL7183448

SCHEMBL7183448

N#Cc1ccc(N[C@H]2CC[C@H](NC=O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 9/20 0.48
KAT2B Q92831 1/20 0.47
VCAM1 P19320 1/20 0.46
WNK1 Q9H4A3 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 3/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2C9 P11712 1/20 0.41

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
SCHEMBL7183457 1.00 HCAR3 (0.52) HCAR3KMT2AMEN1L3MBTL1MAPT
SCHEMBL8248585 0.92 HCAR3 (0.59) HCAR3KMT2AMEN1L3MBTL1MAPT
SCHEMBL20333669 0.87 KMT2A (0.63) HCAR3KMT2AMEN1L3MBTL1MAPT
SCHEMBL7187372 0.87 MEN1 (0.67) HCAR3KMT2AMEN1L3MBTL1MAPT
SCHEMBL7185959 0.86 HCAR3 (0.56) HCAR3KMT2AMEN1L3MBTL1MAPT
SCHEMBL7185961 0.86 HCAR3 (0.56) HCAR3KMT2AMEN1L3MBTL1MAPT
SCHEMBL7179398 0.86 HCAR3 (0.53) HCAR3KMT2AMEN1L3MBTL1MAPT
SCHEMBL7179403 0.86 HCAR3 (0.53) HCAR3KMT2AMEN1L3MBTL1MAPT
SCHEMBL7182042 0.86 MEN1 (0.65) HCAR3KMT2AMEN1L3MBTL1MAPT
SCHEMBL4122997 0.86 MEN1 (0.65) HCAR3KMT2AMEN1L3MBTL1MAPT

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