SCHEMBL5036906

SCHEMBL5036906

C=CC[C@H](N)Cc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.67
SLC6A2 P23975 2/20 0.52
SLC6A3 Q01959 2/20 0.52
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 1/20 0.39
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
IDO1 P14902 3/20 0.36
AGXT P21549 2/20 0.36
SCN4A P35499 1/20 0.35
NMT1 P30419 2/20 0.35
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
CHRNA4 P43681 1/20 0.34
ANPEP P15144 1/20 0.34

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
SCHEMBL9203453 1.00 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3ATML3MBTL1
SCHEMBL10051069 0.81 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3EPHX1DPP4
SCHEMBL19003879 0.81 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3EPHX1DPP4
SCHEMBL10051066 0.81 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3EPHX1DPP4
Hydrochloric Acid SCHEMBL6589870 0.80 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3ATML3MBTL1
Aletamine SCHEMBL5038065 0.80 EPHX1 (0.64) SLC6A4SLC6A2SLC6A3EPHX1TAAR1
Aletamine SCHEMBL122065 0.80 EPHX1 (0.64) SLC6A4SLC6A2SLC6A3EPHX1TAAR1
Aletamine SCHEMBL122064 0.78 EPHX1 (0.61) SLC6A4SLC6A2SLC6A3EPHX1TAAR1
SCHEMBL12942876 0.77 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3ATML3MBTL1
SCHEMBL1779366 0.75 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3EPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889903-A1 Biocatalysts with amine acylase activity Novartis AG (CH) 2008-02-20 EP disclosed
EP-0954571-B1 BIOCATALYSTS WITH AMINE ACYLASE ACTIVITY NOVARTIS AG (CH) 2007-08-29 EP disclosed
US-6235516-B1 FROM RHODOCOCCUS GLOBERULUS, RHODOCOCCUS EQUI OR ARTHROBACTER AURESCENS NOVARTIS AG (CH) 2001-05-22 US disclosed
EP-0954571-A1 BIOCATALYSTS WITH AMINE ACYLASE ACTIVITY Novartis AG (CH) 1999-11-10 EP disclosed
WO-1997041214-A1 BIOCATALYSTS WITH AMINE ACYLASE ACTIVITY NOVARTIS AG (CH) 1997-11-06 WO disclosed