SCHEMBL7317875

SCHEMBL7317875

COC([O])(Cc1nnnn1C(C)c1ccccc1)c1nnnn1C(C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.36
ROCK2 O75116 1/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 3/20 0.32
MGLL Q99685 2/20 0.32
TRPV1 Q8NER1 2/20 0.32
LMNA P02545 2/20 0.32
MCOLN2 Q8IZK6 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
POLB P06746 1/20 0.31
MAOA P21397 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GHSR Q92847 1/20 0.31

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
SCHEMBL96013 0.75 FAAH (0.39) FAAHROCK2MAPTNPSR1MGLL
SCHEMBL7319765 0.73 ALDH1A1 (0.49) MAPTNPSR1LMNAALDH1A1HTT
SCHEMBL8881199 0.72 DAGLA (0.39) FAAHROCK2MAPTNPSR1TRPV1
SCHEMBL96014 0.72 NPSR1 (0.40) FAAHMAPTNPSR1TRPV1LMNA
SCHEMBL8881202 0.70 DAGLA (0.39) MAPTNPSR1TRPV1LMNAMCOLN2
SCHEMBL9755577 0.66 ALDH1A1 (0.36) ROCK2MAPTNPSR1ALDH1A1HTT
SCHEMBL9330232 0.66 ALDH1A1 (0.40) ROCK2MAPTNPSR1LMNAALDH1A1
SCHEMBL24038267 0.65 MEN1 (0.46) FAAHROCK2NPSR1LMNAMCOLN2
SCHEMBL12844387 0.65 MEN1 (0.46) FAAHROCK2NPSR1LMNAMCOLN2
SCHEMBL9208351 0.65 MCOLN2 (0.45) FAAHROCK2NPSR1LMNAMCOLN2

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
EP-0525123-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES UPJOHN CO (US) 1997-09-17 EP disclosed
EP-0525123-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES. UPJOHN CO (US) 1993-02-03 EP disclosed
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP disclosed
WO-1990006921-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1990-06-28 WO disclosed