SCHEMBL6039458

SCHEMBL6039458

CNCc1cccc(C(=O)N2CCN3C(=O)OC(c4ccccc4)(c4ccccc4)C3C2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.64
ADRB2 P07550 1/20 0.57
APLNR P35414 1/20 0.57
GLP1R P43220 1/20 0.57
FFAR4 Q5NUL3 1/20 0.57
GPR119 Q8TDV5 1/20 0.57
KDM1A O60341 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 2/20 0.38
MGLL Q99685 1/20 0.37
OPRM1 P35372 1/20 0.36

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
Hydrochloric Acid SCHEMBL2862202 0.99 NPSR1 (0.63) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2865266 0.91 NPSR1 (0.69) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2863720 0.87 NPSR1 (0.61) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2858322 0.83 NPSR1 (0.54) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2859470 0.81 NPSR1 (0.54) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL5582137 0.81 NPSR1 (0.52) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2863356 0.81 NPSR1 (0.55) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2862197 0.80 NPSR1 (0.61) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2865324 0.78 NPSR1 (1.00) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861754 0.78 NPSR1 (0.82) 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
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 EP disclosed