SCHEMBL7212501

SCHEMBL7212501

COc1ccc(CCCCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)cc1NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.50
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 3/20 0.41
CYP2C19 P33261 3/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
EBP Q15125 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
TMEM97 Q5BJF2 1/20 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
Hydrochloric Acid SCHEMBL7217686 0.84 SETD7 (0.58) SETD7ALDH1A1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL9455483 0.82 SETD7 (0.56) SETD7ALDH1A1MEN1KMT2ATSHR
SCHEMBL9455598 0.82 EBP (0.60) SETD7ALDH1A1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL7217927 0.81 EBP (0.58) SETD7ALDH1A1MEN1KMT2ATSHR
SCHEMBL7213858 0.80 SETD7 (0.56) SETD7ALDH1A1MEN1KMT2ATSHR
SCHEMBL9455461 0.80 SETD7 (0.53) SETD7ALDH1A1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL7212338 0.79 SETD7 (0.52) SETD7ALDH1A1MEN1KMT2ATSHR
SCHEMBL7212631 0.78 SETD7 (0.56) SETD7ALDH1A1MEN1KMT2ATSHR
SCHEMBL9034573 0.78 SIGMAR1 (0.56) SETD7ALDH1A1MEN1KMT2ATSHR
SCHEMBL9034437 0.77 SETD7 (0.54) SETD7ALDH1A1MEN1KMT2ATSHR

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
US-RE38257-E1 Piperdine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 2003-09-23 US disclosed
US-5393890-A Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1995-02-28 US disclosed
US-5250681-A Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1993-10-05 US disclosed