SCHEMBL172381

SCHEMBL172381

O=C(O)c1c(-c2ccccc2)nn2ccc3c(c12)CCO3

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.62
MTNR1A P48039 11/20 0.62
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.34
EGFR P00533 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EED O75530 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
SCHEMBL172491 0.90 MTNR1A (0.52) MTNR1BMTNR1AKMT2ATSHREED
SCHEMBL125589 0.88 MTNR1A (0.63) MTNR1BMTNR1AMEN1KMT2AEGFR
SCHEMBL127599 0.81 MTNR1A (0.67) MTNR1BMTNR1AEED
SCHEMBL172456 0.81 MTNR1B (0.60) MTNR1BMTNR1AMEN1KMT2ACYP1A2
SCHEMBL172399 0.78 MTNR1A (0.67) MTNR1BMTNR1A
SCHEMBL172150 0.78 MTNR1B (0.63) MTNR1BMTNR1A
SCHEMBL123755 0.77 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL172472 0.77 MTNR1A (0.67) MTNR1BMTNR1AEED
SCHEMBL128044 0.77 MTNR1A (0.51) MTNR1BMTNR1AMEN1KMT2A
SCHEMBL126045 0.76 MTNR1A (0.60) MTNR1BMTNR1AMEN1KMT2ATSHR

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