SCHEMBL7415255

SCHEMBL7415255

CNc1ccc(C2(NC3CCCC3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
WNK1 Q9H4A3 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CDC25B P30305 1/20 0.38

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
SCHEMBL7410714 0.76 HCAR3 (0.47) HCAR3HTTMAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL7412658 0.73 HCAR3 (0.49) HCAR3HTTMAPTALDH1A1SMN1; SMN2
SCHEMBL3093045 0.72 WNK1 (0.56) HTTALDH1A1LMNAWNK1SMN1; SMN2
SCHEMBL7416036 0.71 HCAR3 (0.45) HCAR3HTTMAPTALDH1A1SMN1; SMN2
SCHEMBL7412565 0.71 HCAR3 (0.57) HCAR3HTTMAPTALDH1A1MAPK1
SCHEMBL7424865 0.71 HCAR3 (0.53) HCAR3HTTMAPTALDH1A1MAPK1
SCHEMBL1726864 0.71 HCAR3 (0.64) HCAR3HTTMAPTALDH1A1LMNA
SCHEMBL7981300 0.69 HCAR3 (0.63) HCAR3HTTMAPTALDH1A1LMNA
SCHEMBL7492678 0.68 HCAR3 (0.53) HCAR3HTTMAPTALDH1A1SMN1; SMN2
SCHEMBL7412123 0.68 HSD11B1 (0.48) HCAR3HTTMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed