SCHEMBL9842341

SCHEMBL9842341

C#Cc1cccc(C2C(C(=O)OC(C)N3CCN(C(c4ccccc4)c4ccccc4)CC3)=C(C)NC(N)=C2C(=O)OCCOC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ADORA3 P0DMS8 4/20 0.51
ADRA1A P35348 4/20 0.51
ADRA2C P18825 3/20 0.51
MLNR O43193 2/20 0.51
NR1I2 O75469 2/20 0.51
PDE4D Q08499 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A3 Q01959 2/20 0.51
ADRB1 P08588 1/20 0.51
AGTR1 P30556 1/20 0.51
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
CYP2D6 P10635 2/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL9841995 0.96 MEN1 (0.51) MEN1KMT2AADORA3ADRA1AADRA2C
SCHEMBL9842242 0.93 ADORA3 (0.53) MEN1KMT2AADORA3ADRA1AADRA2C
SCHEMBL9842259 0.88 CACNA1F (0.51) MEN1KMT2AADORA3ADRA1AADRA2C
SCHEMBL9842137 0.88 MEN1 (0.53) MEN1KMT2AADORA3ADRA1AADRA2C
SCHEMBL9842284 0.87 MEN1 (0.44) MEN1KMT2AADORA3ADRA1AADRA2C
SCHEMBL9842303 0.86 CACNA1F (0.49) MEN1KMT2AADORA3ADRA1AADRA2C
SCHEMBL9842195 0.84 MEN1 (0.48) MEN1KMT2AADORA3ADRA1AADRA2C
SCHEMBL9842055 0.83 CACNA1F (0.43) MEN1KMT2AADORA3ADRA1AADRA2C
SCHEMBL9842339 0.83 CACNA1F (0.45) MEN1KMT2AADORA3ADRA1AADRA2C
SCHEMBL9842224 0.83 ADORA3 (0.53) MEN1KMT2AADORA3ADRA1AADRA2C

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-0461264-A1 ETHYNYLPHENYL DERIVATIVE, PRODUCTION THEREOF, AND REMEDY FOR DISEASES OF CIRCULATORY ORGANS CONTAINING THE SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-12-18 EP disclosed