SCHEMBL760548

SCHEMBL760548

O=C(NC1CCCC1)NC(c1cc(F)cc(C(F)(F)F)c1)C(c1ccccc1)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 12/20 0.42
EPHX1 P07099 2/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 2/20 0.41
OPRL1 P41146 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL14244157 0.90 CETP (0.47) CETPEPHX1LMNAEPHX2
SCHEMBL4973254 0.80 CETP (0.42) CETPEPHX1LMNAOPRL1
SCHEMBL762000 0.73 EPHX2 (0.47) CETPEPHX1LMNAEPHX2
SCHEMBL1242372 0.72 ALDH1A1 (0.50) EPHX1LMNA
SCHEMBL758760 0.71 CETP (0.69) CETP
SCHEMBL761349 0.71 CETP (0.69) CETP
SCHEMBL758759 0.71 CETP (0.69) CETP
SCHEMBL8067568 0.68 EPHX1 (0.73) EPHX1LMNAEPHX2CNR1CNR2
SCHEMBL757372 0.67 CETP (0.73) CETP
SCHEMBL761559 0.67 CETP (0.73) CETP

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
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed