SCHEMBL6011006

SCHEMBL6011006

COC(=O)c1ccccc1/C=C/C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.48
STS P08842 1/20 0.42
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 3/20 0.40
SLC6A3 Q01959 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CFTR P13569 1/20 0.40
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
PLAT P00750 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL69553 0.77 BACE1 (0.60) BACE1TSHRLMNAKDM4EALDH1A1
SCHEMBL69552 0.77 BACE1 (0.60) BACE1TSHRLMNAKDM4EALDH1A1
SCHEMBL30294965 0.77 MGLL (0.45) BACE1STSTSHRLMNAKDM4E
SCHEMBL14261772 0.76 EED (0.48) STSKDM4EALDH1A1
SCHEMBL6982058 0.75 ALDH1A1 (0.43) BACE1STSTSHRLMNAKDM4E
SCHEMBL6982060 0.75 ALDH1A1 (0.43) BACE1STSTSHRLMNAKDM4E
SCHEMBL6982055 0.75 ALDH1A1 (0.43) BACE1STSTSHRLMNAKDM4E
SCHEMBL6974542 0.74 STS (0.42) BACE1STSTSHRLMNAKDM4E
SCHEMBL6980909 0.74 STS (0.42) BACE1STSTSHRLMNAKDM4E
SCHEMBL10069268 0.74 P4HB (0.53) LMNAKDM4EALDH1A1HPGDPOLB

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-1785415-B1 PIPERIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed