SCHEMBL10689060

SCHEMBL10689060

CCC(=O)N[C@H]1COc2ccc(OC)cc2[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.46
GRM7 Q14831 1/20 0.43
MTNR1B P49286 4/20 0.43
NQO2 P16083 3/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
TP53 P04637 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL10689067 1.00 MTNR1A (0.46) MTNR1AGRM7MTNR1BNQO2HCRTR1
SCHEMBL24614089 0.89 MTNR1A (0.46) MTNR1AGRM7MTNR1BHCRTR1HCRTR2
SCHEMBL10692134 0.81 HTR1A (0.43) MTNR1AGRM7HCRTR1HCRTR2TP53
SCHEMBL10692133 0.81 HTR1A (0.43) MTNR1AGRM7HCRTR1HCRTR2TP53
Hydrochloric Acid SCHEMBL10691710 0.81 HTR1A (0.42) MTNR1AGRM7HCRTR1HCRTR2TP53
Hydrochloric Acid SCHEMBL10691714 0.81 HTR1A (0.42) MTNR1AGRM7HCRTR1HCRTR2TP53
SCHEMBL10611473 0.79 HTR1A (0.44) MTNR1AMTNR1BNQO2HCRTR1HCRTR2
SCHEMBL10611460 0.79 HTR1A (0.44) MTNR1AMTNR1BNQO2HCRTR1HCRTR2
SCHEMBL10611463 0.79 HTR1A (0.44) MTNR1AMTNR1BNQO2HCRTR1HCRTR2
SCHEMBL7272279 0.78 MTNR1A (0.60) MTNR1AMTNR1BNQO2

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-4792548-A Trans-benzopyran-(4,3-b)-1,4-oxazine derivatives, intermediates and pharmaceutical use WARNER-LAMBERT COMPANY (US) 1988-12-20 US disclosed