SCHEMBL18259016

SCHEMBL18259016

COc1cccc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nn[nH]n3)c(CN(C3CC3)C3CC3)nc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 12/20 0.37
TACR1 P25103 3/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL5623758 0.90 CETP (0.37) CETPTACR1ALDH1A1L3MBTL1PTGDR2
SCHEMBL5046631 0.90 CETP (0.37) CETPTACR1ALDH1A1L3MBTL1PTGDR2
SCHEMBL5043473 0.88 ALDH1A1 (0.37) CETPTACR1ALDH1A1L3MBTL1PTGDR2
SCHEMBL18259018 0.85 CETP (0.36) CETPTACR1ALDH1A1L3MBTL1PDE10A
SCHEMBL18259017 0.83 CETP (0.40) CETPTACR1
SCHEMBL5624651 0.81 CETP (0.34) CETPTACR1ALDH1A1L3MBTL1
SCHEMBL5049262 0.77 TACR1 (0.37) CETPTACR1
SCHEMBL5042803 0.76 CETP (0.33) CETPALDH1A1L3MBTL1
SCHEMBL5046458 0.75 CETP (0.42) CETP
SCHEMBL5623765 0.75 CETP (0.37) CETPTACR1ALDH1A1L3MBTL1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981342-B1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDYS LAB LTD DR (IN) 2016-11-30 EP disclosed