SCHEMBL8551438

SCHEMBL8551438

CC(C)(C)OC(=O)N1CCC(OCCC#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.44
EPHX1 P07099 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CETP P11597 1/20 0.42
CTSK P43235 1/20 0.41

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
SCHEMBL21997260 0.86 HPGD (0.49) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL27038215 0.86 MEN1 (0.47) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL4100934 0.86 GPR119 (0.50) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL1576027 0.82 HPGD (0.50) GPR119MAPTHPGDRECQLEPHX1
SCHEMBL2149148 0.82 HPGD (0.50) GPR119HPGDRECQLEPHX1PRMT5
SCHEMBL9363039 0.81 HPGD (0.49) GPR119MAPTHPGDRECQLEPHX1
SCHEMBL21997805 0.81 HPGD (0.49) GPR119MAPTHPGDRECQLEPHX1
SCHEMBL1774237 0.81 MEN1 (0.51) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL22835640 0.81 HPGD (0.49) GPR119MAPTHPGDRECQLEPHX1
SCHEMBL792038 0.81 HPGD (0.49) GPR119ALDH1A1MAPTHPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed