SCHEMBL6971414

SCHEMBL6971414

NN=CNCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.57
F10 P00742 6/20 0.49

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
SCHEMBL7350482 1.00 F2 (0.57) F2F10
SCHEMBL7342636 0.92 F2 (0.64) F2
SCHEMBL7335493 0.92 F2 (0.64) F2
SCHEMBL7309132 0.91 F2 (0.58) F2F10
SCHEMBL7350464 0.89 F2 (0.59) F2F10
SCHEMBL6971395 0.89 F2 (0.59) F2F10
SCHEMBL7340279 0.89 F2 (0.59) F2
SCHEMBL7341634 0.89 F2 (0.59) F2
SCHEMBL7345908 0.87 F2 (0.55) F2
SCHEMBL7342103 0.87 F2 (0.67) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP claimed
EP-0934064-B1 THROMBIN INHIBITORS MERCK & CO INC (US) 2003-03-12 EP disclosed
EP-0858262-B1 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-12-04 EP disclosed
EP-0949921-B1 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-11-13 EP disclosed
EP-0820287-B1 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-03-27 EP disclosed
US-6133297-A 4-((SUBSTITUTED)AMINO(SUBSTITUTED)ALKYLCARBONYLAMINO (SUBTITUTED)ALKYLAMINO)PYRIDINE COMPOUNDS OF GIVEN FORMULA; ADMINISTERING TO TREAT THROMBOSIS MERCK & CO., INC. (US) 2000-10-17 US disclosed
US-6087373-A A SERINE PROTEASE INHIBITOR FOR PREVENTING OR TREATING UNSTABLE ANGINA, REFRACTORY ANGINA, MYOCARDIAL INFARCTION, TRANSIENT ISCHEMIC ATTACKS, ATRIAL FIBRILLATION, THROMBOTIC STROKE, EMBOLIC STROKE, DEEP VEIN THROMBOSIS MERCK & CO., INC. (US) 2000-07-11 US disclosed
US-6017934-A Thrombin inhibitors MERCK & CO., INC. (US) 2000-01-25 US disclosed
US-6004976-A ADMINISTERING IMIDAZO(4,5-C)PYRIDIN-2,4-DIONE DERIVATIVES AS ANTICOAGULANTS MERCK & CO., INC. (US) 1999-12-21 US disclosed
EP-0949921-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-10-20 EP disclosed
EP-0949921-A4 1999-10-20 EP disclosed
WO-1998006396-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-02-19 WO disclosed
US-5629324-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-05-13 US disclosed
WO-1996031504-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1996-10-10 WO disclosed