SCHEMBL172647

SCHEMBL172647

CCCN1CCC(NC=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.40
ADH1A P07327 4/20 0.40
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PABPC1 P11940 1/20 0.38
ADH1C P00326 3/20 0.38
ADH7 P40394 2/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
DRD1 P21728 2/20 0.37
DRD4 P21917 2/20 0.37
DRD5 P21918 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
ADH4 P08319 1/20 0.36
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL28625285 0.85 GNAO1 (0.55) GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL28635747 0.85 GNAO1 (0.55) GNAI3GNAO1GNAI1
SCHEMBL3928027 0.85 ADH1B (0.43) ADH1BADH1AEPHX1EPHX2L3MBTL1
SCHEMBL28313628 0.79 GNAI3 (0.50) ADH1BADH1AEPHX1EPHX2ADH1C
SCHEMBL28267489 0.77 GNAO1 (0.56) ADH1BADH1AEPHX1EPHX2ADH1C
SCHEMBL12995614 0.77 HRH2 (0.43) EPHX1EPHX2L3MBTL1PABPC1DRD2
SCHEMBL16380998 0.77 HRH2 (0.43) EPHX1EPHX2L3MBTL1PABPC1DRD2
SCHEMBL13874921 0.77 HRH2 (0.43) EPHX1EPHX2L3MBTL1PABPC1DRD2
SCHEMBL1781920 0.77 ADH1B (0.52) ADH1BADH1AEPHX1EPHX2L3MBTL1
SCHEMBL22702138 0.77 EPHX1 (0.35) EPHX1EPHX2L3MBTL1PABPC1DRD2

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
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed