SCHEMBL14863848

SCHEMBL14863848

CC(O)C(=O)NCCC1CCc2ccc3c(c21)CCO3

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.76
MTNR1B P49286 20/20 0.76
ABCB11 O95342 1/20 0.73
SIGMAR1 Q99720 1/20 0.73
USP2 O75604 1/20 0.73
NQO2 P16083 2/20 0.43

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
SCHEMBL3071955 1.00 MTNR1A (0.76) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL1612991 0.92 MTNR1A (0.78) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL1567007 0.86 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL1567415 0.86 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL338730 0.84 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
Ramelteon SCHEMBL29380213 0.84 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL1566122 0.84 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL29827337 0.84 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
Ramelteon SCHEMBL29237 0.84 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL1566589 0.83 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2765985-A1 ORALLY DISPERSIBLE TABLET Takeda Pharmaceutical Company Limited (JP) 2014-08-20 EP disclosed
WO-2013054582-A1 ORALLY DISPERSIBLE TABLET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-18 WO disclosed