SCHEMBL24399602

SCHEMBL24399602

COc1ccc(CNC(C)O)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.65
TAS1R3 Q7RTX0 2/20 0.59
TAS1R1 Q7RTX1 2/20 0.59
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 2/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL4105525 0.87 APLNR (0.69) APLNRTAS1R3TAS1R1ADRB2ADRB1
SCHEMBL19138442 0.84 APLNR (0.61) APLNRTAS1R3TAS1R1LMNATSHR
SCHEMBL19138392 0.84 APLNR (0.61) APLNRTAS1R3TAS1R1LMNATSHR
SCHEMBL22048877 0.84 APLNR (0.65) APLNRTAS1R3TAS1R1LMNATSHR
SCHEMBL23460254 0.83 APLNR (0.59) APLNRTAS1R3TAS1R1TSHRHTR2A
SCHEMBL23460256 0.83 APLNR (0.59) APLNRTAS1R3TAS1R1TSHRHTR2A
SCHEMBL15969133 0.83 APLNR (0.73) APLNRTAS1R3TAS1R1ADRB2ADRB1
SCHEMBL4393397 0.83 APLNR (0.73) APLNRTAS1R3TAS1R1ADRB2ADRB1
SCHEMBL7376858 0.83 APLNR (0.73) APLNRTAS1R3TAS1R1ADRB2ADRB1
SCHEMBL24999551 0.83 APLNR (0.63) APLNRTAS1R3TAS1R1LMNATSHR

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
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 WO disclosed