SCHEMBL6155975

SCHEMBL6155975

N[C@@H]1Cc2ccccc2C[C@H]1N

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.54
IDO1 P14902 2/20 0.52
ANPEP P15144 2/20 0.50
HTR2A P28223 1/20 0.46
KDM1A O60341 4/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL4024386 1.00 PLAU (0.54) PLAUIDO1ANPEPHTR2AKDM1A
SCHEMBL6155953 1.00 PLAU (0.54) PLAUIDO1ANPEPHTR2AKDM1A
Acetic Acid SCHEMBL2393012 0.83 MTNR1A (0.44) PLAUIDO1ANPEPKDM1A
SCHEMBL7458168 0.82 PLAU (0.45) PLAUIDO1ANPEPHTR2AKDM1A
SCHEMBL3996873 0.82 ANPEP (0.68) PLAUIDO1ANPEPHTR2A
SCHEMBL7458173 0.82 PLAU (0.45) PLAUIDO1ANPEPHTR2AKDM1A
SCHEMBL30070669 0.82 ANPEP (0.68) PLAUIDO1ANPEPHTR2A
SCHEMBL9515317 0.82 ANPEP (0.68) PLAUIDO1ANPEPHTR2A
SCHEMBL11355392 0.82 ANPEP (0.68) PLAUIDO1ANPEPHTR2A
SCHEMBL9515304 0.82 ANPEP (0.68) PLAUIDO1ANPEPHTR2A

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
CN-100473640-C Method for preparing optical pure trans 2,3-diamine-1,2,3,4-tetrahydrogenated naphthalene SHANGHAI YAOMING KANGDE NEW FH (CN) 2009-04-01 CN disclosed
CN-1623976-A Method for preparing optical pure trans 2,3-diamine-1,2,3,4-tetrahydrogenated naphthalene YAOMING KANGDE NEW FHARMACEUTI (CN) 2005-06-08 CN disclosed
EP-1184377-B1 Hepatobiliary magnetic resonance contrast agents BRACCO INT BV (NL) 2005-02-02 EP disclosed
EP-1184377-A1 Hepatobiliary magnetic resonance contrast agents BRACCO International B.V. (NL) 2002-03-06 EP disclosed
EP-0670832-A1 HEPATOBILIARY MAGNETIC RESONANCE CONTRAST AGENTS BRACCO International B.V. (NL) 1995-09-13 EP disclosed
WO-1995009161-A1 HEPATOBILIARY MAGNETIC RESONANCE CONTRAST AGENTS BRACCO INTERNATIONAL B.V. (NL) 1995-04-06 WO disclosed
US-5358704-A Hepatobiliary tetraazamacrocyclic magnetic resonance contrast agents BRISTOL-MYERS SQUIBB (US) 1994-10-25 US disclosed