SCHEMBL7355012

SCHEMBL7355012

CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
P2RX4 Q99571 1/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 1/20 0.47
HTR1A P08908 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL7346502 0.92 BCHE (0.51) BCHEP2RX4MAPTL3MBTL1ALDH1A1
SCHEMBL6968459 0.92 BCHE (0.56) BCHEP2RX4MAPTMEN1KMT2A
SCHEMBL6959468 0.83 AVPR2 (0.42) BCHEP2RX4MAPTMEN1KMT2A
SCHEMBL7348971 0.83 HPGD (0.55) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7343228 0.81 AVPR2 (0.63) P2RX4KMT2AALDH1A1LMNAHPGD
SCHEMBL7352388 0.81 ALDH1A1 (0.69) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6959618 0.80 AVPR2 (0.68) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7349991 0.79 L3MBTL1 (0.46) BCHEP2RX4MAPTL3MBTL1ALDH1A1
SCHEMBL7351070 0.79 AVPR2 (0.67) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6990464 0.79 ALDH1A1 (0.52) BCHEP2RX4MAPTMEN1KMT2A

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
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed