SCHEMBL7512007

SCHEMBL7512007

NC(=O)CC1NCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.53
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PNMT P11086 4/20 0.44
ADRA2A P08913 4/20 0.44
HTR1A P08908 1/20 0.42
KDM1A O60341 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7512235 0.89 TBXA2R (0.54) TBXA2RALDH1A1L3MBTL1PNMTADRA2A
SCHEMBL7514000 0.84 ALDH1A1 (0.51) TBXA2RALDH1A1L3MBTL1PNMTADRA2A
Hydrochloric Acid SCHEMBL7513995 0.83 ALDH1A1 (0.50) TBXA2RALDH1A1L3MBTL1PNMTADRA2A
Hydrochloric Acid SCHEMBL7298999 0.82 TBXA2R (0.47) TBXA2RALDH1A1L3MBTL1PNMTADRA2A
Hydrochloric Acid SCHEMBL7511013 0.81 TBXA2R (0.54) TBXA2RALDH1A1L3MBTL1PNMTADRA2A
Hydrochloric Acid SCHEMBL7511040 0.81 TBXA2R (0.53) TBXA2RALDH1A1L3MBTL1PNMTADRA2A
SCHEMBL27510090 0.80 ALDH1A1 (0.47) TBXA2RALDH1A1L3MBTL1PNMTADRA2A
Hydrochloric Acid SCHEMBL7515917 0.79 TBXA2R (0.47) TBXA2RALDH1A1KDM1ASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL7510737 0.79 TBXA2R (0.51) TBXA2RALDH1A1L3MBTL1PNMTADRA2A
SCHEMBL7510788 0.79 TBXA2R (0.51) TBXA2RALDH1A1L3MBTL1PNMTADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP disclosed
US-6140322-A Amidine and isothiourea derivatives as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 2000-10-31 US disclosed
US-5929085-A Amidine and isothiourea derivatives, compositions containing them and their use as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 1999-07-27 US disclosed
CN-1207098-A Amidine and isothiourea derivatives as nitric oxide synthase inhibitors ASTRA AB (SE) 1999-02-03 CN disclosed
EP-0861250-A1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE Astra Aktiebolag (SE) 1998-09-02 EP disclosed
WO-1997017344-A1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRA AKTIEBOLAG (SE) 1997-05-15 WO disclosed