SCHEMBL6227403

SCHEMBL6227403

CC(C)Cn1c[c]c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TLR7 Q9NYK1 3/20 0.33
POLB P06746 2/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
ADORA2A P29274 1/20 0.33
ADRA1A P35348 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
SCHEMBL2948705 0.86 KDM4E (0.46) TSHRKDM4ELMNAALDH1A1APAF1
SCHEMBL11171140 0.82 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1POLBHTT
SCHEMBL5497340 0.79 ALDH1A1 (0.34) SMN1; SMN2HSD17B10TDP1KDM4ELMNA
SCHEMBL6015707 0.76 DNM1 (0.54) TSHRSMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL6236614 0.76 SLC9A1 (0.37) L3MBTL1TSHRHSD17B10TDP1KDM4E
SCHEMBL9581979 0.75
SCHEMBL2948314 0.74 KDM4E (0.38) TSHRSMN1; SMN2HSD17B10KDM4ELMNA
SCHEMBL6230861 0.74
SCHEMBL3088022 0.74 ALOX5AP (0.40) SMN1; SMN2ALDH1A1GAAHTT
SCHEMBL2784532 0.73 SLC9A1 (0.40) L3MBTL1HSD17B10TDP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
CN-100434420-C Compounds that block dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO (JP) 2008-11-19 CN disclosed
CN-1745063-A Compound inhibiting dipeptidyl peptidase iv SANWA KAGAKU KENKYUSHO CO (JP) 2006-03-08 CN disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed