SCHEMBL7369697

SCHEMBL7369697

Cc1nc(-c2ccccc2Cl)[nH]c1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.54
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
PTGES O14684 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
MAPK13 O15264 1/20 0.47
RAF1 P04049 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47

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
SCHEMBL7370892 0.86 NPY5R (0.57) NPY5RCYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL7367787 0.86 ROS1 (0.48) NPY5RCYP11B1CYP11B2PTGESCYP3A4
SCHEMBL7376655 0.84 MGAM (0.52) NPY5RCYP11B1CYP11B2SMN1; SMN2TP53
SCHEMBL7370832 0.84 CYP11B1 (0.52) NPY5RCYP11B1CYP11B2SMN1; SMN2NPC1
SCHEMBL7369715 0.84 CYP11B1 (0.52) NPY5RCYP11B1CYP11B2SMN1; SMN2MAPK14
SCHEMBL13115247 0.83 NPY5R (0.51) NPY5RCYP11B1CYP11B2PTGESCYP3A4
SCHEMBL7372656 0.82 ALOX5 (0.50) NPY5RCYP11B1CYP11B2SMN1; SMN2NPC1
SCHEMBL27692933 0.82 CYP11B1 (0.50) NPY5RCYP11B1CYP11B2SMN1; SMN2NPC1
SCHEMBL7367947 0.81 NPY5R (0.63) NPY5RCYP11B1CYP11B2SMN1; SMN2MAPK13
Hydrochloric Acid SCHEMBL7369410 0.81 PDE5A (0.58) NPY5RCYP11B1CYP11B2SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799052-B1 NEW ANTITHROMBOTIC FORMULATION, PROCESS FOR ITS MANUFACTURING, AND USE THEREOF ASTRAZENECA AB (SE) 2001-11-14 EP disclosed
EP-0701568-B1 NEW PEPTIDE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-25 EP disclosed
EP-1067136-A1 New peptide derivatives AstraZeneca AB (SE) 2001-01-10 EP disclosed
US-5939392-A THROMBIN INHIBITORS, ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS ASTRA AKTIEBOLAG (SE) 1999-08-17 US disclosed
US-5856307-A Peptide derivatives as kininogenase inhibitors ASTRA AKTIEBOLAG (SE) 1999-01-05 US disclosed
US-5795896-A Antithrombotic formulation, process for its manufacturing, and use thereof ASTRA AKTIEBOLAG (SE) 1998-08-18 US disclosed
US-5783563-A Method for treatment or prophylaxis of venous thrombosis ASTRA AKTIEBOLAG 1998-07-21 US disclosed
US-5780631-A ANTICOAGLUANT ASTRA AKTIEBOLAG (SE) 1998-07-14 US disclosed
US-5723444-A ENZYME INHIBITORS AND ANTICOAGULANTS ASTRA AB (SE) 1998-03-03 US disclosed
EP-0799052-A1 NEW ANTITHROMBOTIC FORMULATION, PROCESS FOR ITS MANUFACTURING, AND USE THEREOF Astra Aktiebolag (SE) 1997-10-08 EP disclosed
US-5602253-A STARTING MATERIAL FOR SERINE PROTEASE INHIBITORS AKTIEBOLAGET ASTRA (SE) 1997-02-11 US disclosed
WO-1996016671-A1 NEW ANTITHROMBOTIC FORMULATION, PROCESS FOR ITS MANUFACTURING, AND USE THEREOF ASTRA AKTIEBOLAG (SE) 1996-06-06 WO disclosed
EP-0701568-A1 NEW PEPTIDE DERIVATIVES Astra Aktiebolag (SE) 1996-03-20 EP disclosed
WO-1994029336-A1 NEW PEPTIDE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1994-12-22 WO disclosed
US-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
CN-87105680-A Imidazolium compounds and preparation method thereof and comprise the pharmaceutical composition of this compound 1988-04-27 CN disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed