SCHEMBL7630835

SCHEMBL7630835

CN(C)CCOc1ccccc1C(=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
HTR7 P34969 3/20 0.50
HTR1B P28222 1/20 0.48
HRH1 P35367 1/20 0.47
LMNA P02545 3/20 0.47
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
RBP4 P02753 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
SCHEMBL6135750 0.82 RXFP1 (0.57) KDM4EALDH1A1SMN1; SMN2RXFP1HTR7
SCHEMBL6669660 0.81 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2HTR7HTR1B
SCHEMBL3453978 0.81 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2HTR7HTR1B
Hydrochloric Acid SCHEMBL15048947 0.80 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2HTR7HTR1B
SCHEMBL4212045 0.80 LMNA (0.63) KDM4EALDH1A1SMN1; SMN2HTR7HTR1B
SCHEMBL8341399 0.80 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2RXFP1HTR7
SCHEMBL10446494 0.80 HCRTR1 (0.57) KDM4EALDH1A1RXFP1LMNA
SCHEMBL7956961 0.79 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2HTR7HTR1B
SCHEMBL11475373 0.78 HTT (0.54) KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL6671023 0.78 HRH1 (0.54) KDM4EALDH1A1SMN1; SMN2HTR7HTR1B

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
US-6350892-B1 ENZYME INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2002-02-26 US disclosed
EP-1140791-A4 SELECTIVE CPLA 2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2001-10-10 EP disclosed
EP-1140791-A2 SELECTIVE CPLA 2 INHIBITORS Bristol-Myers Squibb Company (US) 2001-10-10 EP disclosed
WO-1999015129-A2 SELECTIVE cPLA2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-04-01 WO disclosed