SCHEMBL7449481

SCHEMBL7449481

C=CC(=O)[N]c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ABCB11 O95342 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NR3C1 P04150 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ADRA2C P18825 1/20 0.42
MAOA P21397 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
CCR2 P41597 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7443116 0.79 DHODH (0.43) DHODHCYP1A2CYP3A4TDP1ABCB11
SCHEMBL7443122 0.79 DHODH (0.43) DHODHCYP1A2CYP3A4TDP1ABCB11
SCHEMBL343533 0.77 NR4A1 (0.50) DHODHCYP1A2CYP3A4TDP1ABCB11
SCHEMBL834358 0.76 ALDH1A1 (0.46) DHODHCYP1A2CYP3A4TDP1ABCB11
SCHEMBL79801 0.76 SIGMAR1 (0.49) DHODHCYP1A2CYP3A4TDP1ABCB11
SCHEMBL283065 0.71 ALDH1A1 (0.44) DHODHCYP1A2CYP3A4TDP1ABCB11
SCHEMBL4172132 0.71 SIGMAR1 (0.43) DHODHCYP1A2CYP3A4TDP1ABCB11
SCHEMBL7445149 0.70 SIGMAR1 (0.42) DHODHCYP1A2CYP3A4TDP1ABCB11
Phenanthrene SCHEMBL10362852 0.69 HSD17B10 (0.55) CYP3A4TDP1ALDH1A1HPGDALOX15
SCHEMBL7440604 0.69 AKT1 (0.46) CYP3A4TDP1ALDH1A1HPGDALOX15

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 8 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
US-6380215-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION SUCH AS ARTERIAL THROMBOSIS, ARTERIAL SCLEROSIS, ISCHEMIC HEART DISEASES FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2002-04-30 US disclosed
EP-0669912-B1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-05 EP disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP 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
EP-0669912-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 EP disclosed
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 WO disclosed