SCHEMBL2039427

SCHEMBL2039427

CNC(=O)COc1ccc(CNC(=O)O)cc1C1CCN(C(=O)c2cn(CCOC)c3c(C)cccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.55
HRH2 P25021 6/20 0.42
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL12643103 0.92 TPSAB1 (0.63) TPSAB1HRH2CNR1KDM4EALDH1A1
SCHEMBL12544270 0.92 TPSAB1 (0.51) TPSAB1HRH2CNR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL12544178 0.92 TPSAB1 (0.62) TPSAB1HRH2CNR1KDM4EALDH1A1
SCHEMBL2039789 0.87 TPSAB1 (0.54) TPSAB1HRH2CNR1KDM4EALDH1A1
SCHEMBL12642971 0.86 TPSAB1 (0.68) TPSAB1HRH2CNR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2041445 0.85 TPSAB1 (0.67) TPSAB1HRH2CNR1KDM4EALDH1A1
SCHEMBL2036326 0.85 TPSAB1 (0.52) TPSAB1HRH2CNR1KDM4EALDH1A1
SCHEMBL2033816 0.85 TPSAB1 (0.64) TPSAB1HRH2CNR1KDM4EALDH1A1
SCHEMBL12542373 0.84 TPSAB1 (0.53) TPSAB1HRH2CNR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2033817 0.84 TPSAB1 (0.63) TPSAB1HRH2CNR1KDM4EALDH1A1

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-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed