SCHEMBL7150781

SCHEMBL7150781

CC(C)COC(=O)N(Cc1ccc(F)cc1Cl)c1cncc(C(=O)N2CCC(c3cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.37
TP53 P04637 3/20 0.34
GAA P10253 1/20 0.33
PARP10 Q53GL7 1/20 0.33
LMNA P02545 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL4403365 0.94 TP53 (0.36) TP53GAAPARP10LMNACHRM4
SCHEMBL7148965 0.89 RORC (0.33) TP53LMNA
SCHEMBL7149405 0.88 TPSAB1 (0.36) LMNA
SCHEMBL7024701 0.86 PDK1 (0.38) GAALMNA
SCHEMBL7142155 0.86 CHRM2 (0.35) LMNA
SCHEMBL7148789 0.85 CCR5 (0.36)
SCHEMBL7148752 0.85 CCR5 (0.36) LMNA
SCHEMBL4411316 0.82 RORC (0.35) TP53PARP10LMNA
SCHEMBL4407001 0.82 GAA (0.35) TP53GAAPARP10LMNA
SCHEMBL4412034 0.81 LMNA (0.40) LMNA

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-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO disclosed