SCHEMBL4080522

SCHEMBL4080522

CNCC1CCCCN1C=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31

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
SCHEMBL22908398 0.94 ALDH1A1 (0.35) ALDH1A1
SCHEMBL24920857 0.86
SCHEMBL1632165 0.80 XPNPEP1 (0.40) MEN1KMT2A
SCHEMBL1629754 0.80 FAP (0.37) ALDH1A1KDM4E
SCHEMBL31022708 0.79 KMT2A (0.41) MEN1KMT2AALDH1A1KDM4E
SCHEMBL4158148 0.79 KMT2A (0.41) MEN1KMT2AALDH1A1KDM4E
SCHEMBL13329800 0.79 KMT2A (0.41) MEN1KMT2AALDH1A1KDM4E
SCHEMBL21210508 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL28631998 0.75 POLB (0.44) MEN1KMT2AALDH1A1
SCHEMBL4778290 0.75 POLB (0.44) MEN1KMT2AALDH1A1

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
WO-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed
EP-3317277-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2021-01-20 EP disclosed
EP-2058306-A1 Heteroaryl-substituted 2-pyridinyl-methylamine derivatives SCHWARZ PHARMA AG (DE) 2009-05-13 EP disclosed