SCHEMBL28154665

SCHEMBL28154665

COc1cc(F)c(CCC(=O)CCc2cc(F)c(OC)cc2F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.43
ALOX5 P09917 2/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
OR51E2 Q9H255 1/20 0.40
HTR1A P08908 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
SCHEMBL2315500 0.88 POLB (0.50) LMNAMAPK1HTTRAB9A
SCHEMBL436124 0.83 CYP4F2 (0.47) MTNR1AMTNR1B
SCHEMBL30873959 0.81 POLB (0.50) LMNAMAPK1HTTRAB9A
SCHEMBL14441618 0.79 POLB (0.51) MTNR1AMTNR1B
SCHEMBL20185961 0.79 HDAC1 (0.44)
SCHEMBL584254 0.78 ALDH1A1 (0.42) ALOX5LMNA
SCHEMBL20969693 0.78 TAAR1 (0.53) HTR2B
SCHEMBL11919300 0.77 TAAR1 (0.47) HTR2BMTNR1AMTNR1BLMNAMAPK1
SCHEMBL584610 0.77 TNKS2 (0.45) HTR2BALOX5MTNR1AMTNR1BLMNA
SCHEMBL3409461 0.77 HSD17B10 (0.51) MTNR1AMTNR1BLMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105906617-B Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2018-09-04 CN disclosed
CN-104254534-B Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2017-07-14 CN disclosed
CN-105906617-A Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2016-08-31 CN disclosed