SCHEMBL23969316

SCHEMBL23969316

C=C(CCc1ccc(CC)cc1C(=O)CC)NCCNC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.37
ADRB2 P07550 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD1 P21728 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
NLRP1 Q9C000 1/20 0.30
METAP2 P50579 1/20 0.30
PLK1 P53350 1/20 0.30
AKT1 P31749 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
SCHEMBL23969192 0.88 MTNR1A (0.34) MTNR1AKDM4ELMNAMAPK1
SCHEMBL23969189 0.87 MEN1 (0.36) MTNR1AKDM4ECYP3A4LMNA
SCHEMBL22176515 0.80 MTNR1A (0.35) MTNR1AADRB2ADRA2ADRD2ADRA2C
SCHEMBL22175873 0.74
SCHEMBL22175855 0.74 HTT (0.37) LMNAMAPK1
SCHEMBL22175925 0.70 MEN1 (0.36) MTNR1AADRB2ADRA2ADRD2ADRA2C
SCHEMBL22175847 0.69 SIGMAR1 (0.40) MTNR1AADRB2ADRA2ADRD2ADRA2C
SCHEMBL22175941 0.68 ALDH1A1 (0.39) MTNR1AADRB2ADRA2ADRD2ADRA2C
SCHEMBL23969348 0.67 HTR1A (0.36) KDM4E
SCHEMBL22175888 0.66 ALDH1A1 (0.41) MTNR1AKDM4ELMNA

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-3903788-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2021-11-03 EP disclosed