SCHEMBL8828147

SCHEMBL8828147

COc1ccc(CCN(C)CCCNC(=O)C/C=C/c2ccc(C)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
CYP3A4 P08684 3/20 0.51
OPRM1 P35372 2/20 0.49
TMEM97 Q5BJF2 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
PKM P14618 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGER1 P34995 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
SCHEMBL8828131 0.93 CYP3A4 (0.52) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8828235 0.93 MAPT (0.56) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL8828252 0.92 MAPT (0.49) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8828188 0.92 LMNA (0.49) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8828274 0.92 OPRM1 (0.49) MAPTALDH1A1KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL8828196 0.91 BLM (0.49) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL8828423 0.91 MAPT (0.53) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8828316 0.90 OPRM1 (0.47) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL9209058 0.89 OPRM1 (0.47) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8828260 0.89 OPRM1 (0.47) MAPTALDH1A1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 US disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed