SCHEMBL7003036

SCHEMBL7003036

COc1ccc(NCC(OC)OC)cc1OCCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 2/20 0.43
EPHX2 P34913 5/20 0.43
DRD3 P35462 2/20 0.43
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
MCHR1 Q99705 4/20 0.42
DRD2 P14416 1/20 0.41
PDE4B Q07343 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT5A Q9NQR1 1/20 0.40
NSD2 O96028 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL7092826 0.82 MCHR1 (0.50) MCHR1EHMT2
SCHEMBL6410204 0.81 HTR2C (0.49) MCHR1EHMT2
SCHEMBL7005111 0.80 DRD3 (0.48) RXFP1ALDH1A1EPHX2DRD3DRD2
SCHEMBL7010009 0.79 HTR2C (0.49)
SCHEMBL7011905 0.77 ALDH1A1 (0.53) RXFP1ALDH1A1DRD3DRD2MAPT
SCHEMBL1667304 0.75 NSD2 (0.49) ALDH1A1EPHX2DRD3PDE4BKMT5A
SCHEMBL22118069 0.73 HTR1B (0.46) RXFP1ALDH1A1EPHX2NPC1MAPT
SCHEMBL22118162 0.73 EPHX2 (0.46) RXFP1ALDH1A1EPHX2NPC1MAPT
SCHEMBL1495991 0.73 KDM4E (0.46) RXFP1EPHX2DRD3DRD2
SCHEMBL3195004 0.73 ALDH1A1 (0.50) RXFP1ALDH1A1EPHX2DRD3DRD2

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-1309551-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002014273-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-21 WO disclosed