SCHEMBL7368914

SCHEMBL7368914

COc1ccc(CNC(=O)OC(C)(C)C)cc1OCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.51
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 3/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 4/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 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
SCHEMBL5064235 0.84 CCR1 (0.58) CCR1KDM4EMEN1KMT2AMAPK1
SCHEMBL7374208 0.83 MEN1 (0.47) KDM4EMEN1KMT2AMAPK1TP53
SCHEMBL7370205 0.82 CCR1 (0.56) CCR1KDM4EMEN1KMT2AMAPK1
SCHEMBL7373471 0.81 ALDH1A1 (0.55) KDM4EMEN1KMT2AMAPK1TP53
SCHEMBL5064434 0.81 KDM4E (0.58) CCR1KDM4EMEN1KMT2AMAPK1
SCHEMBL5061535 0.80 CCR1 (0.56) CCR1KDM4EMEN1KMT2AMAPK1
SCHEMBL5066421 0.80 CCR1 (0.58) CCR1KDM4EMEN1KMT2AMAPK1
SCHEMBL5060462 0.80 CCR1 (0.63) CCR1KDM4EMEN1KMT2AMAPK1
SCHEMBL5064014 0.79 ALDH1A1 (0.60) CCR1KDM4EMEN1KMT2AMAPK1
SCHEMBL5060360 0.79 MRGPRX4 (0.56) CCR1KDM4EMEN1KMT2AMAPK1

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