SCHEMBL7449634

SCHEMBL7449634

CCOC(=O)CC(C)(C)NC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
EPHX1 P07099 1/20 0.37
CHRM1 P11229 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35

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
SCHEMBL7443765 0.90 HPGD (0.42) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7441748 0.87 CHRM1 (0.44) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7441380 0.85 ALDH1A1 (0.39) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7441377 0.84 ITGB3 (0.38) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7446872 0.84 ITGB3 (0.38) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7449642 0.83 CHRM1 (0.40) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7439730 0.83 ALDH1A1 (0.39) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7444290 0.83 ALDH1A1 (0.39) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7440109 0.83 ALDH1A1 (0.39) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7446666 0.83 ALDH1A1 (0.37) ALDH1A1MAPTHPGDKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed