SCHEMBL2865266

SCHEMBL2865266

O=C(O)NCc1cccc(C(=O)N2CCN3C(=O)OC(c4ccccc4)(c4ccccc4)C3C2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.69
ADRB2 P07550 1/20 0.61
APLNR P35414 1/20 0.61
GLP1R P43220 1/20 0.61
FFAR4 Q5NUL3 1/20 0.61
GPR119 Q8TDV5 1/20 0.61
KDM1A O60341 2/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
PARP1 P09874 1/20 0.38
MAPK8 P45983 3/20 0.37
MAPK10 P53779 3/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6039458 0.91 NPSR1 (0.64) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2862202 0.90 NPSR1 (0.63) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2863720 0.87 NPSR1 (0.61) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2865324 0.82 NPSR1 (1.00) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2858322 0.81 NPSR1 (0.54) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2859470 0.81 NPSR1 (0.54) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861754 0.81 NPSR1 (0.82) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863356 0.81 NPSR1 (0.55) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2862197 0.80 NPSR1 (0.61) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL5582137 0.80 NPSR1 (0.52) NPSR1ADRB2APLNRGLP1RFFAR4

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
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed