SCHEMBL18601769

SCHEMBL18601769

CC/C=C\C=C/CN1CN(Cc2cccc(C(=O)OC(C)(C)C)c2)C(=O)C12CCN(CCCc1n[nH]c3ccccc13)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 4/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
BDKRB2 P30411 1/20 0.30

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
SCHEMBL318892 0.85 MEN1 (0.49) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318219 0.75 MEN1 (0.54) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318397 0.71 MEN1 (0.57) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318780 0.69 MEN1 (0.69) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318752 0.69 MEN1 (0.51) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL18601829 0.68 KCNH2 (0.44) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL319063 0.67 MEN1 (0.54) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318647 0.67 MEN1 (0.51) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL319344 0.67 LMNA (0.42) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318573 0.66 KCNH2 (0.56) MEN1TP53CYP1A2CYP3A4CYP2D6

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-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed