SCHEMBL17090113

SCHEMBL17090113

CC(O)(c1ccccc1)c1ccc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.41
NPY5R Q15761 1/20 0.39
NPY2R P49146 1/20 0.37
NR3C2 P08235 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALDH3A1 P30838 1/20 0.35
GBA1 P04062 1/20 0.35
CYP2C19 P33261 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL13565260 1.00 CRHR1 (0.41) CRHR1NPY5RNPY2RNR3C2ALDH1A1
SCHEMBL17090108 0.88 NPY5R (0.42) CRHR1NPY5RALDH1A1ALDH3A1CNR2
SCHEMBL13565142 0.88 NPY5R (0.42) CRHR1NPY5RALDH1A1ALDH3A1CNR2
SCHEMBL11935223 0.88 CRHR1 (0.44) CRHR1NPY5RALDH1A1ALDH3A1GBA1
SCHEMBL13438902 0.88 CRHR1 (0.44) CRHR1NPY5RALDH1A1ALDH3A1GBA1
SCHEMBL17090159 0.87 CRHR1 (0.40) CRHR1NPY5RNPY2RNR3C2ALDH1A1
SCHEMBL13565459 0.87 CRHR1 (0.40) CRHR1NPY5RNPY2RNR3C2ALDH1A1
SCHEMBL17089998 0.86 CRHR1 (0.39) CRHR1ALDH1A1ALDH3A1GBA1CARM1
SCHEMBL17090321 0.86 CRHR1 (0.39) CRHR1ALDH1A1ALDH3A1GBA1CARM1
SCHEMBL13564943 0.86 CNR2 (0.46) CRHR1NPY5RALDH1A1ALDH3A1GBA1

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