SCHEMBL11289746

SCHEMBL11289746

CCOC(=O)[C@H](C)NC1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.46
HRH3 Q9Y5N1 2/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
ABCB11 O95342 1/20 0.44
ACE P12821 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.42
KDM1A O60341 1/20 0.40
MAPT P10636 1/20 0.40
MMP8 P22894 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 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
Hydrochloric Acid SCHEMBL11289744 0.98 GRM7 (0.44) GRM7HRH3MTNR1AMTNR1BABCB11
SCHEMBL11005581 0.86 KDM1A (0.54) GRM7HRH3MTNR1AMTNR1BNPC1
Hydrochloric Acid SCHEMBL11005579 0.84 KDM1A (0.52) GRM7HRH3MTNR1AMTNR1BNPC1
SCHEMBL9057495 0.79 GRM7 (0.55) GRM7HRH3MTNR1AMTNR1BNPC1
SCHEMBL9057496 0.79 GRM7 (0.55) GRM7HRH3MTNR1AMTNR1BNPC1
SCHEMBL7139021 0.78 KDM1A (0.53) GRM7HRH3MTNR1AMTNR1BNPC1
SCHEMBL2310770 0.77 L3MBTL1 (0.41) TSHRMAPT
SCHEMBL10652307 0.77 L3MBTL1 (0.41) TSHRMAPT
Hydrochloric Acid SCHEMBL6052700 0.76 KDM1A (0.51) GRM7HRH3MTNR1AMTNR1BNPC1
SCHEMBL7909264 0.76 ATM (0.52) GRM7HRH3MTNR1AMTNR1BNPC1

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-0051391-A1 Bicyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-05-12 EP disclosed