SCHEMBL27723968

SCHEMBL27723968

CCc1ccc(N(CCc2ccc(Cl)cc2)C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
CNR1 P21554 5/20 0.36
POLB P06746 2/20 0.36
CYP3A4 P08684 2/20 0.36
PTGIR P43119 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CNR2 P34972 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AOC3 Q16853 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL27703395 0.94 CNR1 (0.42) EPHX2CNR1POLBCYP3A4PTGIR
SCHEMBL28769146 0.94 NPC1 (0.34) EPHX2CNR1POLBALDH1A1CNR2
SCHEMBL27723970 0.93 TAAR1 (0.36) EPHX2CNR1POLBCYP3A4CNR2
SCHEMBL27703389 0.93 CNR1 (0.33) EPHX2CNR1POLBCNR2MEN1
SCHEMBL28773084 0.92 EPHX2 (0.39) EPHX2CNR1CYP3A4PTGIRALDH1A1
SCHEMBL27703386 0.92 CYP3A4 (0.38) EPHX2CNR1POLBCYP3A4PTGIR
SCHEMBL27703392 0.92 POLB (0.33) EPHX2CNR1POLBALDH1A1CTDSP1
SCHEMBL27703435 0.92 CHRM5 (0.36) EPHX2CNR1POLBCYP3A4ALDH1A1
SCHEMBL27703379 0.91 EPHX2 (0.38) EPHX2CNR1POLBCYP3A4PTGIR
SCHEMBL27724115 0.91 CYP3A4 (0.35) EPHX2POLBCYP3A4ALDH1A1MAPT

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
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN claimed
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN disclosed