SCHEMBL7122710

SCHEMBL7122710

O=C(O)C(=O)N(c1ccccc1)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
OGT O15294 1/20 0.45
NOS1 P29475 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CREBBP Q92793 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ESR1 P03372 1/20 0.39
LRP6 O75581 2/20 0.39
DKK1 O94907 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL9456609 0.72 NPSR1 (0.64) POLBTDP1ALDH1A1KMT2AMEN1
SCHEMBL6647933 0.70 ALDH1A1 (0.60) POLBOGTNOS1TDP1ALDH1A1
SCHEMBL17260655 0.68 PDE3B (0.71) POLBOGTNOS1TDP1ALDH1A1
SCHEMBL118684 0.68 KDM4E (0.67) POLBOGTNOS1TDP1ALDH1A1
SCHEMBL29771053 0.68 KDM4E (0.67) POLBOGTNOS1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL27966713 0.67 KMT2A (0.49) POLBOGTNOS1TDP1ALDH1A1
SCHEMBL4576717 0.66 GRIN2D (0.55) NOS1CREBBPPSMB8
SCHEMBL14565124 0.66 OGT (0.50) POLBOGTNOS1TDP1ALDH1A1
SCHEMBL24897510 0.66 CREBBP (0.58) POLBALDH1A1CREBBPKDM4EMAPT
SCHEMBL9684816 0.66 ALDH1A1 (0.55) POLBOGTNOS1TDP1ALDH1A1

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-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 WO disclosed