SCHEMBL8553126

SCHEMBL8553126

O=C(NN1C(=O)CN=C(CN2CCOCC2)c2ccccc21)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LIPE Q05469 1/20 0.40
F10 P00742 1/20 0.39
PRKDC P78527 1/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.36
SENP1 Q9P0U3 1/20 0.36
POLB P06746 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
CTRB1 P17538 1/20 0.36

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
SCHEMBL7828642 0.79 HDAC3 (0.51) NPSR1ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL8542158 0.74 CYP3A4 (0.39) KMT2AALDH1A1SMN1; SMN2MAPTSENP1
SCHEMBL8547679 0.73 GRIN2B (0.38) ALDH1A1SENP1POLBCTRB1
SCHEMBL8558106 0.73 SENP1 (0.49) ALDH1A1SENP1
SCHEMBL7423680 0.70 L3MBTL1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL8553128 0.70 CBLB (0.56)
SCHEMBL8520160 0.70 RAB9A (0.42) NPSR1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL13156074 0.70 MAPT (0.50) MEN1KMT2ANPSR1F10PRKDC
SCHEMBL15201849 0.68 F10 (0.56) MEN1KMT2ANPSR1LIPEF10
SCHEMBL5638173 0.68 MEN1 (0.60) MEN1KMT2ANPSR1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672037-B1 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS GLAXO GROUP LTD (GB) 1998-07-08 EP disclosed
US-5569654-A ADMINISTERING AS ANTAGONISTS OF GASTRIN AND CHOLECYSTOKININ GLAXO GROUP LIMITED (GB) 1996-10-29 US disclosed