SCHEMBL7199038

SCHEMBL7199038

O=C(c1cc2cc(O)ccc2o1)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
POLB P06746 3/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDE7B Q9NP56 1/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
HRH4 Q9H3N8 2/20 0.48
FLT3 P36888 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 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
SCHEMBL7159351 0.78 RAB9A (0.56) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL28296511 0.77 RAB9A (0.73) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL28294795 0.76 HRH4 (0.74) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL7163069 0.76 GRIN2D (0.62) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL4146496 0.75 HSP90AA1 (0.56) ALDH1A1POLBCA12CA1CA2
SCHEMBL7169916 0.74 GRIN2B (0.61) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL27346073 0.72 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL3644984 0.69 ALDH1A1 (0.55) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL3644986 0.69 ALDH1A1 (0.55) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL6047288 0.69 ALDH1A1 (0.56) ALDH1A1POLBCA12CA1CA2

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-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