SCHEMBL7975017

SCHEMBL7975017

NC(Cc1ccccc1Cl)C(=O)C1NCCS1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.37
SLC6A4 P31645 8/20 0.37
SLC6A3 Q01959 3/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC8 Q9BY41 5/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DPP4 P27487 2/20 0.35
FAP Q12884 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
MC4R P32245 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
SCHEMBL10411479 0.82 ALPI (0.49) CYP1A2HDAC8DPP4FAPDPP8
SCHEMBL11445439 0.73 NPC1 (0.47) AKT1AKT2AKT3HDAC8HDAC3
SCHEMBL2153542 0.70 PKM (0.47) SLC6A2SLC6A4SLC6A3AKT1AKT2
SCHEMBL43976 0.70 PKM (0.58) CYP2C9CYP2C19PPARGPPARA
SCHEMBL43977 0.70 PKM (0.58) CYP2C9CYP2C19PPARGPPARA
SCHEMBL35491891 0.70 PKM (0.58) CYP2C9CYP2C19PPARGPPARA
SCHEMBL298903 0.70 PKM (0.58) CYP2C9CYP2C19PPARGPPARA
SCHEMBL2153547 0.70 PKM (0.47) SLC6A2SLC6A4SLC6A3AKT1AKT2
SCHEMBL29351556 0.70 PKM (0.58) CYP2C9CYP2C19PPARGPPARA
Hydrochloric Acid SCHEMBL1514957 0.69 PKM (0.56) CYP2C9CYP2C19HDAC8PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed