SCHEMBL13565656

SCHEMBL13565656

CC(C)(C)S(=O)(=O)NCCCCCNc1cccnc1Oc1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
P2RY1 P47900 7/20 0.44
CARM1 Q86X55 2/20 0.43
MAPK8 P45983 2/20 0.42
PRMT6 Q96LA8 1/20 0.42
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TRPA1 O75762 3/20 0.39
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK14 Q16539 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
SCHEMBL17089980 0.86 MAPT (0.49) MAPTP2RY1CARM1MAPK8PRMT6
SCHEMBL10113525 0.86 MAPT (0.55) MAPTP2RY1CARM1PRMT6
SCHEMBL11934973 0.83 MAPT (0.54) MAPTP2RY1CARM1PRMT6HTR1A
SCHEMBL13565231 0.78 PKM (0.41) MAPTPOLB
SCHEMBL17090481 0.77 MAPT (0.46) MAPTP2RY1CARM1PRMT6HTR1A
SCHEMBL13565603 0.77 MAPT (0.46) MAPTP2RY1CARM1PRMT6HTR1A
SCHEMBL11935545 0.73 L3MBTL1 (0.43) MAPTPOLBCYP2C9CYP2C19
SCHEMBL10113797 0.73 MAPT (0.55) MAPTP2RY1CARM1PRMT6
SCHEMBL13113420 0.72 MAPT (0.64) MAPTP2RY1CARM1PRMT6HTR1A
SCHEMBL13565628 0.71 HTR1A (0.56) HTR1A

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-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed