SCHEMBL8742991

SCHEMBL8742991

CCOC(=O)N1c2ccc(OC)cc2CCC1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1A P48039 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
MTNR1B P49286 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
PPARD Q03181 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL8742995 1.00 NOTUM (0.45) NOTUMKDM4ENPSR1MTNR1AHSD17B10
SCHEMBL8742962 1.00 NOTUM (0.45) NOTUMKDM4ENPSR1MTNR1AHSD17B10
SCHEMBL7337368 0.86 NOTUM (0.48) NOTUMMTNR1AHSD17B10ALDH1A1LMNA
SCHEMBL7337365 0.86 NOTUM (0.48) NOTUMMTNR1AHSD17B10ALDH1A1LMNA
SCHEMBL7344895 0.86 NOTUM (0.48) NOTUMMTNR1AHSD17B10ALDH1A1LMNA
SCHEMBL8742789 0.83 MTNR1A (0.48) NOTUMMTNR1AHSD17B10ALDH1A1LMNA
SCHEMBL7305955 0.83 MTNR1A (0.48) NOTUMMTNR1AHSD17B10ALDH1A1LMNA
SCHEMBL8742926 0.82 MTNR1A (0.47) NOTUMKDM4ENPSR1MTNR1AHSD17B10
SCHEMBL8742853 0.82 MTNR1A (0.47) NOTUMKDM4ENPSR1MTNR1AHSD17B10
SCHEMBL7316234 0.82 MTNR1A (0.47) NOTUMKDM4ENPSR1MTNR1AHSD17B10

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-5641785-A ANTIDEPRESSANTS, NERVOUS SYSTEM DISORDERS SYNTHELABO (FR) 1997-06-24 US disclosed