SCHEMBL172399

SCHEMBL172399

O=C(O)c1c(C2CC2)nn2ccc3c(c12)CCO3

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.67
MTNR1B P49286 17/20 0.67
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 0.33

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
SCHEMBL124170 0.86 MTNR1A (0.65) MTNR1AMTNR1BDRD2HTR2ADRD3
SCHEMBL125753 0.82 MTNR1B (0.66) MTNR1AMTNR1BDRD2HTR2ADRD3
SCHEMBL172456 0.81 MTNR1B (0.60) MTNR1AMTNR1B
SCHEMBL126994 0.80 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL172381 0.78 MTNR1B (0.62) MTNR1AMTNR1B
SCHEMBL172150 0.78 MTNR1B (0.63) MTNR1AMTNR1BDRD2HTR2ADRD3
SCHEMBL126757 0.78 MTNR1A (0.67) MTNR1AMTNR1BHTR2A
SCHEMBL124834 0.77 MTNR1A (0.60) MTNR1AMTNR1BDRD2HTR2ADRD3
SCHEMBL123962 0.77 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL172491 0.75 MTNR1A (0.52) MTNR1AMTNR1B

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-2100895-B1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-03-07 EP disclosed