SCHEMBL5547201

SCHEMBL5547201

COC(CCNCc1ccccc1)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAOA P21397 1/20 0.52
CHRM2 P08172 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
DRD4 P21917 1/20 0.49
SIGMAR1 Q99720 3/20 0.47
ATM Q13315 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
GPR35 Q9HC97 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2915787 0.89 MAOA (0.58) MEN1KMT2ATDP1MAOACHRM2
Hydrochloric Acid SCHEMBL28667301 0.85 MAOA (0.62) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL3193069 0.82 MEN1 (0.53) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL3168512 0.81 MEN1 (0.50) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL22306916 0.80 DRD4 (0.51) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL14361919 0.80 MEN1 (0.50) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL5784665 0.79 MEN1 (0.64) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL2305794 0.76 MEN1 (0.59) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL26127761 0.76 MEN1 (0.59) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL11253767 0.76 MEN1 (0.59) MEN1KMT2ATDP1MAOACHRM2

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-7662960-B2 Beta-strand mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-02-16 US disclosed
EP-1751131-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-14 EP disclosed
WO-2005085226-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-15 WO disclosed