SCHEMBL1397663

SCHEMBL1397663

O=C(c1cc(Cl)cc2cc[nH]c12)N(CCc1ccc(Cl)c(Cl)c1)Cc1cc2ccc(Cl)cc2s1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.34
IKBKB O14920 4/20 0.33
CHUK O15111 3/20 0.33
NR1I3 Q14994 1/20 0.32
CCR2 P41597 2/20 0.32
CYP2C19 P33261 2/20 0.31
MAOB P27338 1/20 0.31
DHPS P49366 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL1397826 0.94 C5AR1 (0.35) C5AR1IKBKBCHUKNR1I3CCR2
SCHEMBL1397409 0.91 C5AR1 (0.38) C5AR1IKBKBCHUKCYP2C19MEN1
SCHEMBL1397367 0.87 TRPM8 (0.35) C5AR1IKBKBCHUKNR1I3CYP2C19
SCHEMBL1397683 0.79 MAPT (0.33) IKBKBCHUKMAOBALDH1A1TP53
SCHEMBL1397674 0.79 LMNA (0.33) NR1I3MEN1ALDH1A1MAPTKMT2A
SCHEMBL1397533 0.79 TP53 (0.31) NR1I3TP53MAPT
SCHEMBL1397699 0.79 C5AR1 (0.31) C5AR1NR1I3
SCHEMBL1397640 0.78 IKBKB (0.38) C5AR1IKBKBCHUKMAOBMEN1
SCHEMBL1397662 0.78 SIGMAR1 (0.31) SIGMAR1
SCHEMBL1397697 0.78

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-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed