SCHEMBL7168567

SCHEMBL7168567

O=C(c1cc2ccc(O)cc2[nH]1)N1CCCCC1Cc1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.53
GRIN3B O60391 5/20 0.53
GRIN1 Q05586 5/20 0.53
GRIN2A Q12879 5/20 0.53
GRIN2B Q13224 5/20 0.53
GRIN2C Q14957 5/20 0.53
GRIN3A Q8TCU5 5/20 0.53
AKR1C3 P42330 1/20 0.53
HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL7171173 0.92 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4805406 0.81 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4805201 0.81 GRIN2D (0.80) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4809215 0.77 GRIN2B (0.43) GRIN2BAKR1C3
SCHEMBL6989168 0.73 DAGLA (0.48)
SCHEMBL4888808 0.72 GRIN1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11995353 0.71 HTR7 (0.50) AKR1C3
SCHEMBL2459184 0.70 HTR7 (0.55) AKR1C3
SCHEMBL2462975 0.70 HTR7 (0.55) AKR1C3
SCHEMBL4813274 0.70 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-1328514-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2003-07-23 EP claimed
WO-2002034718-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2002-05-02 WO claimed
EP-1328514-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2003-07-23 EP disclosed
WO-2002034718-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2002-05-02 WO disclosed