SCHEMBL4345362

SCHEMBL4345362

c1ccc(CNCOc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.66
BCHE P06276 5/20 0.60
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL19375060 0.87 LTA4H (0.58) DRD4BCHEKMT2AMEN1
SCHEMBL503153 0.84 KCNA3 (0.55) DRD4BCHEGAAMAOA
SCHEMBL9080542 0.79 BCHE (0.92) BCHE
SCHEMBL8740486 0.79 DRD4 (1.00) DRD4BCHEKMT2AMEN1TDP1
SCHEMBL19374703 0.79 PPARG (0.48) DRD4BCHEKMT2AMEN1TDP1
Diphenylether SCHEMBL11163283 0.77 KDM4E (0.64) DRD4BCHEKMT2AMEN1TDP1
SCHEMBL7238806 0.76 MEN1 (0.56) DRD4BCHEKMT2AMEN1TDP1
SCHEMBL3823089 0.76 MEN1 (0.56) DRD4BCHEKMT2AMEN1TDP1
SCHEMBL1369606 0.76 LTA4H (0.48) DRD4MAOA
SCHEMBL1654 0.75 MEN1 (0.78) BCHEKMT2AMEN1TDP1GAA

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
CN-102686555-B Substituted 3-(phenoxymethyl) benzyl amines and personal care compositions UNILEVER PLC 2014-08-06 CN claimed
CN-102686555-A Substituted 3-(phenoxymethyl) benzyl amines and personal care compositions UNILEVER PLC 2012-09-19 CN claimed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed