SCHEMBL8881202

SCHEMBL8881202

CC(c1ccccc1)n1nnnc1CCO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAOA P21397 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 2/20 0.38
MCOLN2 Q8IZK6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CNR2 P34972 1/20 0.36
CYP2D6 P10635 1/20 0.36
HSD11B1 P28845 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL96014 0.88 NPSR1 (0.40) DAGLAMEN1KMT2ANPSR1MAOA
SCHEMBL8881199 0.85 DAGLA (0.39) DAGLAMEN1KMT2ANPSR1MAOA
SCHEMBL96013 0.81 FAAH (0.39) DAGLAMEN1KMT2ANPSR1MAOA
SCHEMBL1779637 0.77 ALDH1A1 (0.47) DAGLAMEN1KMT2AALDH1A1CASP1
SCHEMBL24038267 0.74 MEN1 (0.46) MEN1KMT2ANPSR1MAOABRD4
SCHEMBL12844387 0.74 MEN1 (0.46) MEN1KMT2ANPSR1MAOABRD4
SCHEMBL9872410 0.72 CYP2D6 (0.41) MEN1KMT2ANPSR1MAOABRD4
SCHEMBL12141917 0.72 MCOLN2 (0.47) MEN1KMT2ANPSR1MAOABRD4
SCHEMBL9208351 0.70 MCOLN2 (0.45) MEN1KMT2ANPSR1MAOAALDH1A1
SCHEMBL7317875 0.70 FAAH (0.36) MEN1KMT2ANPSR1MAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0489877-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 2-AMINO-6-PHENYL-4H-PYRAN-4-ONES UPJOHN CO (US) 1995-09-20 EP disclosed