SCHEMBL6962041

SCHEMBL6962041

COCC1NCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.62
SLC22A1 O15245 1/20 0.59
GID4 Q8IVV7 1/20 0.51
OPRM1 P35372 7/20 0.51
OPRK1 P41145 1/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.49
RECQL P46063 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
SCHEMBL31569471 1.00 PRCP (0.62) PRCPSLC22A1GID4OPRM1OPRK1
SCHEMBL8127170 1.00 PRCP (0.62) PRCPSLC22A1GID4OPRM1OPRK1
SCHEMBL8127173 1.00 PRCP (0.62) PRCPSLC22A1GID4OPRM1OPRK1
SCHEMBL24189005 0.83 PRCP (0.41) PRCPSLC22A1GID4OPRM1OPRK1
SCHEMBL1011090 0.81 PRCP (0.68) PRCPSLC22A1OPRM1OPRK1ALDH1A1
SCHEMBL10226238 0.81 PRCP (0.68) PRCPSLC22A1OPRM1OPRK1ALDH1A1
SCHEMBL9935619 0.81 PRCP (0.65) PRCPSLC22A1OPRM1OPRK1ALDH1A1
SCHEMBL16455043 0.81 PRCP (0.68) PRCPSLC22A1OPRM1OPRK1ALDH1A1
SCHEMBL29768301 0.81 PRCP (0.68) PRCPSLC22A1OPRM1OPRK1ALDH1A1
SCHEMBL26065131 0.81 PRCP (0.60) PRCPSLC22A1GID4OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
EP-0822934-B1 ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES PFIZER RES & DEV (IE) 2000-02-09 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed
US-5798352-A Antithrombotic amidinotetrahydropyridylalanine derivatives PFIZER INC. (US) 1998-08-25 US disclosed
US-5750520-A SELECTIVE THROMBIN INHIBITORS; WOUND HEALING AGENTS PFIZER INC. (US) 1998-05-12 US disclosed
EP-0728132-B1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LTD (GB) 1997-07-16 EP disclosed
EP-0728132-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LTD (GB) 1996-08-28 EP disclosed
WO-1995013274-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LIMITED (GB) 1995-05-18 WO disclosed