SCHEMBL3036673

SCHEMBL3036673

CCCCOC(=O)Nc1cc2c(s1)C(=C1CCN(C)CC1)c1ccccc1CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH1 P35367 4/20 0.40
CHRM2 P08172 3/20 0.40
CHRM1 P11229 3/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
ADRA1A P35348 3/20 0.40
OPRK1 P41145 3/20 0.40
HTR2B P41595 3/20 0.40
KCNH2 Q12809 3/20 0.40

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
SCHEMBL3788798 0.83 SETD7 (0.47) SETD7KDM4EMAPTKMT2AMEN1
SCHEMBL3037280 0.83 SETD7 (0.53) SETD7KDM4EMAPTKMT2AMEN1
SCHEMBL3046586 0.82 SETD7 (0.52) SETD7KDM4EMAPTKMT2AMEN1
SCHEMBL3134006 0.79 CYP2D6 (0.49) SETD7KDM4EMAPTKMT2AMEN1
SCHEMBL14693488 0.76 KDM4E (0.71) SETD7KDM4EMAPTKMT2AMEN1
SCHEMBL3040906 0.73 MAPK1 (0.47) SETD7KDM4EMAPTKMT2AMEN1
SCHEMBL3040904 0.73 MAPK1 (0.47) SETD7KDM4EMAPTKMT2AMEN1
SCHEMBL3034892 0.73 KDM4E (0.65) SETD7KDM4EHSD17B10MAPTKMT2A
SCHEMBL3044099 0.72 KDM4E (0.55) SETD7KDM4EMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL3049107 0.72 SETD7 (0.52) SETD7KDM4EMAPTKMT2AMEN1

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-2243778-A1 PIPERIDINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2010-10-27 EP disclosed