SCHEMBL7374208

SCHEMBL7374208

COc1ccc(CNC(=O)OC(C)(C)C)cc1OCC(=O)N1CCN(Cc2ccc3ccccc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
NOD2 Q9HC29 1/20 0.47
FAAH O00519 4/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MCHR1 Q99705 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7373261 0.84 ALDH1A1 (0.49) MEN1KMT2AFAAHALDH1A1CYP3A4
SCHEMBL7368914 0.83 CCR1 (0.51) MEN1KMT2AFAAHALDH1A1CYP3A4
SCHEMBL7374593 0.78 MEN1 (0.41) MEN1KMT2ANOD2FAAHALDH1A1
SCHEMBL7370149 0.77 MEN1 (0.52) MEN1KMT2AALDH1A1CYP2C9LMNA
SCHEMBL7374207 0.75 FAAH (0.42) MEN1KMT2AFAAHALDH1A1CYP3A4
SCHEMBL7373471 0.75 ALDH1A1 (0.55) MEN1KMT2AFAAHALDH1A1CYP3A4
SCHEMBL7375596 0.75 ALDH1A1 (0.47) MEN1KMT2ANOD2FAAHALDH1A1
SCHEMBL23775793 0.74 DRD2 (0.55) FAAHMCHR1
SCHEMBL7374210 0.74 DRD2 (0.43) MEN1KMT2ANOD2FAAHMCHR1
SCHEMBL8489951 0.73 FAAH (0.52) MEN1KMT2AFAAHALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed
EP-0706517-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-04-17 EP disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 WO disclosed