SCHEMBL5160379

SCHEMBL5160379

N=C(N)NCCC[C@H](NC(=O)CN)C(=O)C(=O)CCl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.35
▸ NPY1R P25929 10/20 0.35
▸ NPY5R Q15761 9/20 0.35
▸ NPY2R P49146 6/20 0.35
▸ C3AR1 Q16581 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1627262 0.84 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL4587709 0.83 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL2815692 0.83 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL187696 0.82 C3AR1 (0.45) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL2116832 0.82 C3AR1 (0.45) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL29476474 0.82 C3AR1 (0.45) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL7764489 0.82 C3AR1 (0.41) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL6680407 0.82 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL2815688 0.81 C3AR1 (0.44) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL4587702 0.81 C3AR1 (0.44) NPY4RNPY1RNPY5RNPY2RC3AR1

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
EP-1067879-B1 METHOD FOR INHIBITING THROMBOSIS IN A PATIENT WHOSE BLOOD IS SUBJECTED TO EXTRACORPOREAL CIRCULATION UNIV COLUMBIA (US) 2007-02-28 — — EP disclosed
US-20040038898-A1 Method for inhibiting thrombosis in a patient whose blood is subjected to extracorporeal circulation THE TRUSTEES OF COLUMBIA UNIVERSITY 2004-02-26 — — US disclosed
US-6391300-B1 INTRODUCING INTO EXTRACORPOREALLY CIRCULATING BLOOD FACTOR IXA COMPOUND WHICH IS GLU-GLY-ARG CHLOROMETHYL KETONE-INACTIVATED HUMAN FACTOR IXA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2002-05-21 — — US disclosed
EP-0907337-A4 METHOD FOR INHIBITING THROMBOSIS IN A PATIENT WHOSE BLOOD IS SUBJECTED TO EXTRACORPOREAL CIRCULATION UNIV COLUMBIA (US) 2001-03-07 — — EP disclosed
WO-1999049803-A9 METHOD FOR INHIBITING THROMBOSIS IN A PATIENT WHOSE BLOOD IS SUBJECTED TO EXTRACORPOREAL CIRCULATION UNIV COLUMBIA (US) 2000-02-17 — — WO disclosed
EP-0907337-A1 METHOD FOR INHIBITING THROMBOSIS IN A PATIENT WHOSE BLOOD IS SUBJECTED TO EXTRACORPOREAL CIRCULATION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1999-04-14 — — EP disclosed
WO-1997042900-A9 METHOD FOR INHIBITING THROMBOSIS IN A PATIENT WHOSE BLOOD IS SUBJECTED TO EXTRACORPOREAL CIRCULATION — 1998-03-05 — — WO disclosed
WO-1997042900-A1 METHOD FOR INHIBITING THROMBOSIS IN A PATIENT WHOSE BLOOD IS SUBJECTED TO EXTRACORPOREAL CIRCULATION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1997-11-20 — — WO disclosed
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