SCHEMBL17090123

SCHEMBL17090123

CC(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc(N3CCN(c4ccccc4)CC3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
ADRB1 P08588 1/20 0.41
RORC P51449 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
NPY5R Q15761 3/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
USP30 Q70CQ3 1/20 0.38
ESR1 P03372 1/20 0.37
ESRRA P11474 1/20 0.37
ESRRG P62508 1/20 0.37

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
SCHEMBL13565564 1.00 DRD2 (0.43) DRD2DRD3ADRB1RORCGAA
SCHEMBL11935094 0.91 HDAC3 (0.46) GAANPY5RUSP30
SCHEMBL17090135 0.91 HDAC3 (0.46) GAANPY5RUSP30
SCHEMBL13565425 0.91 ALDH1A1 (0.41) GAAMAPTALOX15ALOX12MAPK1
SCHEMBL11935083 0.90 ALDH1A1 (0.42) GAAMAPTALOX15MAPK1GFER
SCHEMBL11935435 0.90 NPY5R (0.38) ADRB1NPY5R
SCHEMBL13439167 0.90 NPY5R (0.38) ADRB1NPY5R
SCHEMBL11935093 0.89 MAPT (0.45) GAAMAPTALOX15ALOX12MAPK1
SCHEMBL13565507 0.89 GPR119 (0.46) DRD2DRD3MAPT
SCHEMBL17090125 0.89 GPR119 (0.46) DRD2DRD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed