SCHEMBL6987660

SCHEMBL6987660

COc1ccc(C(=O)C2CCNCC2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.58
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 2/20 0.53
HSD11B1 P28845 1/20 0.52
NPC1 O15118 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ATM Q13315 1/20 0.49
CPS1 P31327 1/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TNFRSF1A P19438 1/20 0.49
POLB P06746 1/20 0.47
EPHX2 P34913 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
Hydrochloric Acid SCHEMBL11619068 0.99 KDM2B (0.57) KDM2BALDH1A1RAB9AHSD11B1NPC1
SCHEMBL10638090 0.88 KDM2B (0.47) KDM2BALDH1A1RAB9AHSD11B1ABCG2
SCHEMBL10637499 0.85 NPC1 (0.57) ALDH1A1RAB9ANPC1ABCG2MEN1
SCHEMBL20524600 0.84 CPS1 (0.68) ALDH1A1HSD11B1MEN1KMT2ACPS1
SCHEMBL30323172 0.84 CPS1 (0.68) ALDH1A1HSD11B1MEN1KMT2ACPS1
Hydrochloric Acid SCHEMBL10640839 0.84 NPC1 (0.55) ALDH1A1RAB9ANPC1ABCG2MEN1
Hydrochloric Acid SCHEMBL30323144 0.83 CPS1 (0.67) ALDH1A1HSD11B1MEN1KMT2ACPS1
SCHEMBL11214722 0.82 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1MEN1KMT2A
Bromide SCHEMBL10640715 0.81 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL6712581 0.81 HSD11B1 (0.63) KDM2BALDH1A1RAB9AHSD11B1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO disclosed