SCHEMBL7356276

SCHEMBL7356276

N=C(N)NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.57
PLG P00747 2/20 0.57
OPRM1 P35372 3/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 1/20 0.49
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46

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
SCHEMBL7356254 1.00 F2 (0.57) F2PLGOPRM1OPRD1OPRK1
SCHEMBL6850997 1.00 F2 (0.57) F2PLGOPRM1OPRD1OPRK1
SCHEMBL6850981 1.00 F2 (0.57) F2PLGOPRM1OPRD1OPRK1
SCHEMBL27532662 1.00 F2 (0.57) F2PLGOPRM1OPRD1OPRK1
Acetic Acid SCHEMBL10728075 0.99 F2 (0.56) F2PLGOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL11285878 0.99 F2 (0.56) F2PLGOPRM1OPRD1OPRK1
Sulfuric Acid SCHEMBL7264620 0.97 F2 (0.54) F2PLGOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7304367 0.92 OPRM1 (0.49) F2PLGOPRM1OPRD1
Hydrochloric Acid SCHEMBL7296655 0.90 F2 (0.59) F2PLGOPRM1OPRK1F10
SCHEMBL7395037 0.90 F2 (0.53) F2PLGOPRM1OPRK1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001079261-A1 TETRAHYDRO-AZEPINONE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed
EP-0684830-A4 INHIBITORS OF THROMBOSIS. CORVAS INT INC (US) 1996-04-17 EP disclosed
EP-0684830-A1 INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1995-12-06 EP disclosed
EP-0627929-A4 INHIBITORS OF THROMBOSIS. CORVAS INT INC (US) 1995-07-12 EP disclosed
WO-1995014788-A1 BLOOD COAGULATION RETARDANTS AND DEVICES UNIVERSITY OF WASHINGTON (US) 1995-06-01 WO disclosed
EP-0627929-A1 INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1994-12-14 EP disclosed
WO-1994017817-A1 INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1994-08-18 WO disclosed