SCHEMBL7364366

SCHEMBL7364366

[CH2]CNCC(O)COc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
OPRM1 P35372 1/20 0.63
OPRD1 P41143 1/20 0.63
ADRB1 P08588 3/20 0.61
ADRB3 P13945 3/20 0.61
CYP2D6 P10635 2/20 0.61
ADRB2 P07550 2/20 0.61
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 1/20 0.56
KDM1A O60341 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
ALDH1A1 P00352 1/20 0.55
DPP4 P27487 1/20 0.55
ATM Q13315 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL11606524 0.89 MEN1 (0.71) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL8825150 0.85 MEN1 (0.70) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL6690111 0.84 MEN1 (0.65) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL11449949 0.83 MEN1 (0.68) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL7367855 0.83 MEN1 (0.63) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL25251683 0.83 ADRB1 (0.66) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL14507484 0.83 MEN1 (0.63) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL11431426 0.82 MEN1 (0.58) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL8668148 0.82 MEN1 (0.58) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL7367538 0.82 MEN1 (0.62) MEN1KMT2AOPRM1OPRD1ADRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1214008-C Therapeutic biaryl derivatives GLAXO GROUP LTD (GB) 2005-08-10 CN disclosed
WO-1994002463-A1 ANTIHYPERTENSIVE 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-03 WO disclosed