SCHEMBL4785358

SCHEMBL4785358

COC(CNC(=O)c1ccc(C=O)cc1)OC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
HPGD P15428 3/20 0.52
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.41

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
SCHEMBL6365588 0.83 MAPT (0.59) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL4789397 0.83 TDP1 (0.59) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL5503502 0.82 MEN1 (0.57) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL2647795 0.82 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHPGDEPHX2
SCHEMBL2647793 0.82 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHPGDEPHX2
SCHEMBL3037389 0.81 MEN1 (0.56) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL1169501 0.81 KMT2A (0.56) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL3601229 0.80 KMT2A (0.68) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL18469618 0.79 TDP1 (0.61) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL4785110 0.79 TDP1 (0.61) ALDH1A1MEN1KMT2ATDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008149110-A1 BICYCLOR [2.2.1] HEPT-7-YLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES AND CONDITIONS IN WHICH M3 MUSCARINIC RECEPTOR ACTIVITY AND BETA-ADRENERGIC ACTIVITY ARE IMPLICATED ARGENTA DISCOVERY LIMITED (GB) 2008-12-11 WO disclosed
WO-2008096127-A2 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096127-A2 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed