SCHEMBL7018249

SCHEMBL7018249

C[C@@H](C(=O)O)N(C(=N)N)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
LIPE Q05469 1/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 2/20 0.39
OPRM1 P35372 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 2/20 0.39

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
SCHEMBL7018248 1.00 ALDH1A1 (0.43) ALDH1A1TSHRLIPEPOLBLMNA
SCHEMBL5964851 0.88 ALOX5 (0.43) ALDH1A1TSHRLIPEPOLBLMNA
SCHEMBL5109203 0.78 POLB (0.42) ALDH1A1TSHRLIPEPOLBLMNA
SCHEMBL5109201 0.78 POLB (0.42) ALDH1A1TSHRLIPEPOLBLMNA
SCHEMBL4953717 0.78 POLB (0.44) ALDH1A1TSHRLIPEPOLBLMNA
SCHEMBL4953723 0.78 POLB (0.44) ALDH1A1TSHRLIPEPOLBLMNA
SCHEMBL7209762 0.78 ALDH1A1 (0.45) ALDH1A1TSHRPOLBLMNAKMT2A
SCHEMBL28679009 0.78 POLB (0.44) ALDH1A1TSHRLIPEPOLBLMNA
SCHEMBL10584135 0.78 POLB (0.37) ALDH1A1TSHRLIPEPOLBLMNA
SCHEMBL4302479 0.76 POLB (0.43) ALDH1A1TSHRLIPEPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed
US-5917034-A Antithrombotic n-amidinopiperidine and benzamidine derivatives PFIZER INC. (US) 1999-06-29 US disclosed
US-5861393-A THROMBIN INHIBITORS; VASCULAR, CARDIOVASCULAR, NERVOUS SYSTEM AND BRAIN DISORDERS; ANTIISCHEMIC AND ANTIINFLAMMATORY AGENTS; RESTENOSIS PFIZER INC. (US) 1999-01-19 US disclosed
US-5861393-A THROMBIN INHIBITORS; VASCULAR, CARDIOVASCULAR, NERVOUS SYSTEM AND BRAIN DISORDERS; ANTIISCHEMIC AND ANTIINFLAMMATORY AGENTS; RESTENOSIS PFIZER INC. (US) 1999-01-19 US disclosed
EP-0858458-A1 ANTITHROMBOTIC N-AMIDINOPIPERIDINE AND BENZAMIDINE DERIVATIVES Pfizer Limited (GB) 1998-08-19 EP disclosed
US-5750520-A SELECTIVE THROMBIN INHIBITORS; WOUND HEALING AGENTS PFIZER INC. (US) 1998-05-12 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
WO-1997016444-A1 ANTITHROMBOTIC N-AMIDINOPIPERIDINE AND BENZAMIDINE DERIVATIVES PFIZER LIMITED (GB) 1997-05-09 WO disclosed
CN-1134148-A Antithrombotic amidinophenylalanine and amidinopyridylalanine derivs PFIZER RES & DEV (IE) 1996-10-23 CN 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