SCHEMBL19003879

SCHEMBL19003879

NC(CC=O)Cc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.67
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
EPHX1 P07099 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NMT1 P30419 2/20 0.37
IDO1 P14902 1/20 0.36
AGXT P21549 1/20 0.36
CTSC P53634 1/20 0.36
ANPEP P15144 2/20 0.36
ENPEP Q07075 2/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10051069 1.00 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3DPP4DPP7
SCHEMBL10051066 1.00 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3DPP4DPP7
SCHEMBL10273446 0.82 SLC6A4 (0.42) SLC6A4EPHX1ANPEPENPEP
SCHEMBL9203453 0.81 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3DPP4DPP7
SCHEMBL5036906 0.81 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3DPP4DPP7
SCHEMBL9034841 0.81 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL4975192 0.80 EPHX1 (0.64) SLC6A4SLC6A2SLC6A3EPHX1TAAR1
SCHEMBL9908069 0.80 EPHX1 (0.64) SLC6A4SLC6A2SLC6A3EPHX1TAAR1
SCHEMBL11947633 0.80 EPHX1 (0.64) SLC6A4SLC6A2SLC6A3EPHX1TAAR1
SCHEMBL24312004 0.78 EPHX1 (0.50) EPHX1PPARGPPARATAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299463-A2 ENZYMATIC ENCODING Nuevolution A/S (DK) 2018-03-28 EP disclosed
EP-2348125-B1 Method for the synthesis of a bifunctional complex NUEVOLUTION AS (DK) 2017-06-21 EP disclosed