SCHEMBL23944989

SCHEMBL23944989

O=C(O)[C@@H]1CCc2ccc3c(c21)CCO3

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 14/20 0.53
MTNR1A P48039 12/20 0.53
ABCB11 O95342 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
USP2 O75604 1/20 0.51
FABP4 P15090 2/20 0.42
FABP3 P05413 1/20 0.42
SLC9A1 P19634 1/20 0.35

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
SCHEMBL13913684 1.00 MTNR1B (0.53) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL23944996 1.00 MTNR1B (0.53) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL12056681 0.78 MTNR1B (0.62) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL12056670 0.78 MTNR1B (0.62) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL3338295 0.78 MTNR1B (0.62) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL3338269 0.78 MTNR1B (0.62) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL12056687 0.78 MTNR1A (0.51) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL28361577 0.76 MTNR1B (0.67) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL28030985 0.76 MTNR1B (0.49) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL13705943 0.74 MTNR1B (0.61) MTNR1BMTNR1AABCB11SIGMAR1USP2

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
WO-2021210920-A1 METHOD FOR PRODUCING RAMELTEON, AND INTERMEDIATE COMPOUND USED FOR SAME 제이투에이치바이오텍 주식회사 2021-10-21 WO disclosed