SCHEMBL3358824

SCHEMBL3358824

Cc1c(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)cccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.54
CNR1 P21554 3/20 0.54
CNR2 P34972 2/20 0.54
HTR2B P41595 1/20 0.53
KMT2A Q03164 10/20 0.50
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.45
NOD2 Q9HC29 1/20 0.45

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
SCHEMBL1605161 0.82 MEN1 (0.64) MEN1CNR1CNR2HTR2BKMT2A
SCHEMBL1604017 0.81 HTR2B (0.67) MEN1HTR2BKMT2AHTTSMN1; SMN2
SCHEMBL13060028 0.79 MEN1 (0.66) MEN1HTR2BKMT2AHTTSMN1; SMN2
SCHEMBL1604665 0.78 MEN1 (0.61) MEN1CNR1CNR2HTR2BKMT2A
SCHEMBL1604944 0.78 MEN1 (0.61) MEN1CNR1CNR2HTR2BKMT2A
SCHEMBL1604029 0.78 CNR1 (0.64) MEN1CNR1CNR2HTR2BKMT2A
SCHEMBL1604955 0.77 HTR2B (0.70) MEN1CNR1HTR2BKMT2AHTT
SCHEMBL1604180 0.77 MEN1 (0.60) MEN1CNR1CNR2HTR2BKMT2A
SCHEMBL1604829 0.76 MEN1 (0.61) MEN1HTR2BKMT2AHTTSMN1; SMN2
SCHEMBL1604148 0.76 HTR2B (0.70) MEN1HTR2BKMT2AHTTSMN1; SMN2

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-1797099-B1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE INC (US) 2010-08-11 EP claimed