SCHEMBL7445255

SCHEMBL7445255

CCOC(=O)[C@H](CCc1ccccc1)CNC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
STS P08842 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
ACE P12821 1/20 0.39

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
SCHEMBL7450244 0.93 KMT2A (0.45) GPR119KMT2AALDH1A1RAB9ANPC1
SCHEMBL7450055 0.92 ITGB3 (0.42) GPR119KMT2AALDH1A1RAB9ANPC1
SCHEMBL7446868 0.88 ALDH1A1 (0.40) KMT2AALDH1A1HPGDITGB3ITGA2B
SCHEMBL7445261 0.87 L3MBTL1 (0.48) GPR119KMT2AALDH1A1NPC1CYP3A4
SCHEMBL7463087 0.86 RAB9A (0.44) KMT2AALDH1A1RAB9ANPC1STS
SCHEMBL7444180 0.86 KDM4E (0.47) GPR119KMT2AL3MBTL1ITGB3ITGA2B
SCHEMBL7504289 0.86 ITGB3 (0.52) GPR119KMT2AALDH1A1RAB9ANPC1
SCHEMBL7445250 0.85 L3MBTL1 (0.43) GPR119KMT2AALDH1A1NPC1CYP3A4
SCHEMBL7455696 0.85 KMT2A (0.43) GPR119KMT2AALDH1A1RAB9ANPC1
SCHEMBL7446600 0.85 STS (0.42) GPR119KMT2AALDH1A1RAB9ANPC1

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
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US 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