SCHEMBL172332

SCHEMBL172332

O=C(O)c1cnn2ccc3c(c12)CCO3

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.45
MTNR1B P49286 12/20 0.45
CSNK2A2 P19784 2/20 0.37
CSNK2A1 P68400 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 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
SCHEMBL128266 0.81 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL127375 0.76 MTNR1B (0.43) MTNR1AMTNR1B
SCHEMBL172456 0.73 MTNR1B (0.60) MTNR1AMTNR1BL3MBTL1
SCHEMBL124106 0.72 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL125199 0.71 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL127156 0.70 MTNR1B (0.68) MTNR1AMTNR1B
SCHEMBL125064 0.70 MTNR1A (0.38) MTNR1AMTNR1B
SCHEMBL172150 0.70 MTNR1B (0.63) MTNR1AMTNR1B
SCHEMBL172399 0.70 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL172381 0.70 MTNR1B (0.62) 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