SCHEMBL27723965

SCHEMBL27723965

CCc1ccc(N(CCc2ccc(C)cc2)C(=O)Nc2c(CC)ccc(N)c2CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
EPHX2 P34913 1/20 0.33
HCRTR2 O43614 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
ROCK2 O75116 1/20 0.32
LIMK1 P53667 1/20 0.32
ROCK1 Q13464 1/20 0.32
P2RY14 Q15391 1/20 0.31
OPRM1 P35372 1/20 0.31
CNR2 P34972 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
SCHEMBL27723971 0.91 MAPT (0.33) EPHX2TP53CNR2
SCHEMBL4592571 0.89 CNR2 (0.38) MEN1KMT2AATMHCRTR2POLB
SCHEMBL27703389 0.85 CNR1 (0.33) MEN1KMT2AATMEPHX2POLB
SCHEMBL27703381 0.83 CNR1 (0.39) EPHX2POLBROCK2LIMK1ROCK1
SCHEMBL4592616 0.82 RAB9A (0.40) MEN1KMT2APOLBCNR2
SCHEMBL4592431 0.81 CNR2 (0.38) POLBTP53CNR2
SCHEMBL28773080 0.80 UTS2R (0.37) TP53
SCHEMBL4592661 0.78 PDK1 (0.33) EPHX2
SCHEMBL4592810 0.78 UTS2R (0.35) CNR2
SCHEMBL4592518 0.77 CYP3A4 (0.34) EPHX2POLBTP53CNR2

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