SCHEMBL11206168

SCHEMBL11206168

COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.74
GAA P10253 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
HTT P42858 1/20 0.74
MAPT P10636 2/20 0.62
ATM Q13315 1/20 0.62
NAMPT P43490 1/20 0.62
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 1/20 0.61
PDE3B Q13370 2/20 0.60
PDE3A Q14432 2/20 0.60
NR3C1 P04150 1/20 0.60
PGR P06401 1/20 0.60
SLC6A4 P31645 1/20 0.60
KCNH2 Q12809 1/20 0.60
POLB P06746 2/20 0.60
CYP2C19 P33261 1/20 0.60
ALOX15 P16050 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL4316403 0.87 GAA (0.57) LMNAGAASMN1; SMN2HTTMAPT
SCHEMBL7283471 0.82 PDE3B (0.60) LMNAGAASMN1; SMN2HTTMAPT
SCHEMBL11198704 0.82 NAMPT (0.67) LMNAGAASMN1; SMN2HTTMAPT
SCHEMBL27569658 0.82 NAMPT (0.60) LMNAGAASMN1; SMN2HTTMAPT
SCHEMBL16276101 0.80 LMNA (0.64) LMNAGAASMN1; SMN2HTTMAPT
SCHEMBL11194619 0.79 SMN1; SMN2 (0.57) LMNAGAASMN1; SMN2HTTMAPT
SCHEMBL11194616 0.79 SMN1; SMN2 (0.57) LMNAGAASMN1; SMN2HTTMAPT
SCHEMBL16134867 0.79 POLB (0.70) LMNAGAASMN1; SMN2HTTMAPT
SCHEMBL11194908 0.79 SMN1; SMN2 (0.60) LMNAGAASMN1; SMN2HTTMAPT
SCHEMBL9173237 0.78 KMT2A (0.77) LMNAGAASMN1; SMN2HTTMAPT

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-1142157-C Thenoyl piperazine derivative with positive myodyamia effect 上海众普生物科技有限公司 2004-03-17 CN disclosed
CN-1344715-A Thenoyl piperazine derivative with positive myodyamia effect SHANGHAI ZHONGPU BIOLOG SCIENC (CN) 2002-04-17 CN disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed