SCHEMBL6011799

SCHEMBL6011799

Nc1cccc(/C=C\C2CCN(C(=O)CN3CCOCC3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NAMPT P43490 2/20 0.42
WNT3 P56703 1/20 0.40
SFRP1 Q8N474 1/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 4/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL14261804 0.88 NPC1 (0.46) TSHRALOX15HSD17B10NAMPTWNT3
SCHEMBL6011965 0.88 MAOB (0.43) TSHRALOX15HSD17B10NAMPTWNT3
SCHEMBL10069075 0.87 MAPT (0.47) TSHRALOX15HSD17B10NAMPTKDM4E
SCHEMBL14261824 0.87 HTT (0.47) TSHRALOX15HSD17B10NAMPTWNT3
SCHEMBL6009399 0.87 MAOA (0.54) TSHRALOX15HSD17B10NAMPTWNT3
SCHEMBL6012016 0.87 KMT2A (0.46) TSHRALOX15HSD17B10NAMPTKMT2A
SCHEMBL14261820 0.87 MAOA (0.54) TSHRALOX15HSD17B10NAMPTWNT3
SCHEMBL14261811 0.87 HTT (0.47) TSHRALOX15HSD17B10NAMPTWNT3
SCHEMBL10069273 0.87 TSHR (0.44) TSHRALOX15HSD17B10NAMPTWNT3
SCHEMBL6011003 0.87 TSHR (0.44) TSHRALOX15HSD17B10NAMPTWNT3

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
EP-1785415-B1 PIPERIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed