SCHEMBL7632736

SCHEMBL7632736

CCCCCCCCCCCCN(C)CCCOc1ccc(CCC(=O)C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.55
LTA4H P09960 6/20 0.49
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 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
SCHEMBL7637631 0.98 FAAH (0.55) FAAHLTA4HS1PR4S1PR1S1PR3
SCHEMBL7626715 0.97 FAAH (0.54) FAAHLTA4HS1PR4S1PR1S1PR3
SCHEMBL3488458 0.89 FAAH (0.65) FAAHS1PR4S1PR1S1PR3LMNA
SCHEMBL3487635 0.89 FAAH (0.65) FAAHS1PR4S1PR1S1PR3LMNA
SCHEMBL7632104 0.88 FAAH (0.55) FAAHS1PR4S1PR1S1PR3THRA
SCHEMBL7630829 0.86 FAAH (0.53) FAAHTHRATHRB
SCHEMBL7632715 0.86 FAAH (0.53) FAAHS1PR4S1PR1S1PR3THRA
SCHEMBL7625591 0.85 LMNA (0.66) LTA4HS1PR4S1PR1S1PR3LMNA
SCHEMBL7629447 0.85 FAAH (0.55) FAAHS1PR4S1PR1S1PR3THRA
SCHEMBL7629103 0.84 LMNA (0.51) FAAHS1PR4S1PR1S1PR3THRA

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-6350892-B1 ENZYME INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2002-02-26 US disclosed
US-6255496-B1 CYTOSOLIC PHOSPHATIDE 2-ACYLHYDROLASE ENZYME INHIBITORS; CONTROLLING INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY 2001-07-03 US disclosed