SCHEMBL13796945

SCHEMBL13796945

CC(C)(C)OC(=O)NCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.53
▸ ACACA Q13085 1/20 0.48
▸ NPY5R Q15761 10/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ AQP1 P29972 2/20 0.46
▸ ADRA2A P08913 5/20 0.45
▸ MCHR1 Q99705 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ NPY4R P50391 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MRGPRX1 Q96LB2 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL13796373 0.95 ACACB (0.51) ACACBACACANPY5RSLC6A4AQP1
SCHEMBL14606850 0.94 ACACB (0.56) ACACBACACANPY5RSLC6A4AQP1
SCHEMBL13796941 0.94 ACACB (0.56) ACACBACACANPY5RSLC6A4AQP1
SCHEMBL14606734 0.93 ACACB (0.54) ACACBACACANPY5RSLC6A4AQP1
SCHEMBL13796959 0.93 ACACB (0.54) ACACBACACANPY5RSLC6A4AQP1
SCHEMBL13796362 0.93 NPY5R (0.55) ACACBACACANPY5RSLC6A4AQP1
SCHEMBL13796642 0.92 ACACB (0.53) ACACBACACANPY5RSLC6A4AQP1
SCHEMBL13796640 0.92 ACACB (0.53) ACACBACACANPY5RSLC6A4AQP1
SCHEMBL13796968 0.92 ACACB (0.53) ACACBACACANPY5RSLC6A4AQP1
SCHEMBL13796360 0.91 ACACB (0.52) ACACBACACANPY5RSLC6A4AQP1

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
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
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