SCHEMBL8052199

SCHEMBL8052199

CC(=O)N(c1ccccc1)C1(C#N)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
RXFP1 Q9HBX9 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRL1 P41146 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CTSL P07711 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1C1 Q04828 1/20 0.35
CTSK P43235 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL4545369 0.76 KMT2A (0.58) ALDH1A1MEN1KMT2APOLBOPRM1
SCHEMBL2229782 0.74 HIF1A (0.33) ALDH1A1MEN1KMT2ARXFP1L3MBTL1
SCHEMBL28133295 0.74 MEN1 (0.57) ALDH1A1MEN1KMT2APOLBOPRM1
SCHEMBL2567728 0.73 RXFP1 (0.34) ALDH1A1MEN1KMT2ARXFP1L3MBTL1
SCHEMBL27533045 0.73 KMT2A (0.51) ALDH1A1MEN1KMT2APOLBOPRM1
SCHEMBL2983952 0.71 HIF1A (0.33) ALDH1A1MEN1KMT2APOLBRXFP1
SCHEMBL27497140 0.69 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBOPRM1
SCHEMBL13534002 0.68 OPRM1 (0.52) OPRM1OPRL1
SCHEMBL3241413 0.66 OPRM1 (0.50) ALDH1A1OPRM1OPRL1SMN1; SMN2CTSK
SCHEMBL437417 0.65 NPSR1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998462-A1 PROCESS FOR THE PREPARATION OF 1,3-DIAZA-SPIRO (4.4) NON-1-EN-4-ONE DERIVATIVES AND 1-CYANO-1-ACYLAMINO-CYCLOPENTANE INTERMEDIATES SANOFI-SYNTHELABO (FR) 2000-05-10 EP disclosed
EP-0998463-A1 PROCESS FOR THE PREPARATION OF 1,3-DIAZA-SPIRO (4.4) NON-1-EN-4-ONE DERIVATIVES AND 1-CYANO-1-ACYLAMINOCYCLOPENTANE INTERMEDIATES SANOFI-SYNTHELABO (FR) 2000-05-10 EP disclosed
WO-1999005120-A1 PROCESS FOR THE PREPARATION OF 1,3-DIAZA-SPIRO (4.4) NON-1-EN-4-ONE DERIVATIVES AND 1-CYANO-1-ACYLAMINOCYCLOPENTANE INTERMEDIATES SANOFI-SYNTHELABO (FR) 1999-02-04 WO disclosed
WO-1999005119-A1 PROCESS FOR THE PREPARATION OF 1,3-DIAZA-SPIRO (4.4) NON-1-EN-4-ONE DERIVATIVES AND 1-CYANO-1-ACYLAMINO-CYCLOPENTANE INTERMEDIATES SANOFI-SYNTHELABO (FR) 1999-02-04 WO disclosed