SCHEMBL8295144

SCHEMBL8295144

COc1ccc(C(N)=O)c2c1CCCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.45
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
FLT3 P36888 3/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSD11B1 P28845 1/20 0.39
HSD17B2 P37059 1/20 0.39
NNMT P40261 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 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
SCHEMBL16739249 0.84 HSD17B10 (0.46) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL4556902 0.84 HSD17B10 (0.46) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL919063 0.84 HSD17B10 (0.46) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8708889 0.84 HSD17B10 (0.46) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL35972 0.84 HSD17B10 (0.46) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL35787 0.84 HSD17B10 (0.46) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL5459284 0.84 HSD17B10 (0.46) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL3427457 0.83 ALDH1A1 (0.50) ADRA1ALMNAALDH1A1KDM4EHPGD
SCHEMBL3424668 0.83 MAPT (0.50) ADRA1AALDH1A1KDM4EHPGDHSD11B1
SCHEMBL1160668 0.82 HSD17B10 (0.47) KMT2AMEN1ALDH1A1KDM4EHPGD

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
WO-2005003122-A1 5HT4-ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO disclosed