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SCHEMBL4592810

SCHEMBL4592810

CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(CCc1ccc(C)cc1)c1ccc(C(C)C)cc1.CCc1ccc(N(Cc2ccc(C)cc2)C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)cc1.CCc1ccc(N(Cc2ccc(C)cc2)C(=O)Nc2c(CC)ccc(N)c2CC)cc1.CCc1ccc(N)c(CC)c1NC(=O)N(CCc1ccccc1)c1ccc(C(C)C)cc1.CCc1ccc(N)c(CC)c1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 5/20 0.35
▸ CETP P11597 2/20 0.33
▸ UBE2M P61081 1/20 0.31
▸ DCUN1D1 Q96GG9 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PDK1 Q15118 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ PDK2 Q15119 1/20 0.30
▸ PDK4 Q16654 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HDAC6 Q9UBN7 2/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL4592138 0.88 CNR2 (0.34) CYP3A4PDK1CNR2THRB
SCHEMBL27703384 0.86 UTS2R (0.40) UTS2RCETPPDK1
SCHEMBL4592643 0.85 PDK1 (0.40) UTS2RCETPUBE2MDCUN1D1PDK1
SCHEMBL28773080 0.85 UTS2R (0.37) UTS2RCYP3A4PTGDR2
SCHEMBL4591943 0.83 PDK2 (0.38) UTS2RCETPMTORPDK1PDK2
SCHEMBL4592518 0.83 CYP3A4 (0.34) UTS2RCYP3A4TSHRCNR2
SCHEMBL27703387 0.82 RAB9A (0.39) UTS2RCYP3A4CNR2
SCHEMBL27723971 0.82 MAPT (0.33) UTS2RCNR2THRB
SCHEMBL27724115 0.82 CYP3A4 (0.35) CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL4592628 0.82 CNR2 (0.38) CYP3A4PDK1CNR2THRB

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-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 — — EP claimed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 — — WO claimed