SCHEMBL9854709

SCHEMBL9854709

COC1c2ccccc2CCC1NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PIN1 Q13526 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDPK1 O15530 1/20 0.41
TAS1R2 Q8TE23 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9854699 0.85 MTNR1A (0.52) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL9854743 0.83 MTNR1A (0.54) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL11138133 0.81 MTNR1A (0.53) MTNR1AMTNR1BTAS1R3TAS1R1SMN1; SMN2
SCHEMBL7273542 0.81 MTNR1A (0.53) MTNR1AMTNR1BTAS1R3TAS1R1SMN1; SMN2
SCHEMBL7270673 0.81 MTNR1A (0.53) MTNR1AMTNR1BTAS1R3TAS1R1SMN1; SMN2
SCHEMBL23772365 0.81 MTNR1A (0.53) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL2464892 0.79 MTNR1A (0.51) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL9854682 0.77 MTNR1A (0.53) MTNR1AMTNR1BKMT2AMEN1TAS1R3
SCHEMBL1988494 0.75 PDPK1 (0.61) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL8029932 0.75 PDPK1 (0.61) MTNR1AMTNR1BPDE4APDE4BPDE4C

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-0420064-A2 Substituted 2-amidotetralins as melatonin agonists and antagonists NORTHWESTERN UNIVERSITY (US) 1991-04-03 EP disclosed