SCHEMBL805875

SCHEMBL805875

c1cc2c(c3c1CCC3CCNCCC1CCc3ccc4c(c31)CCO4)CCO2

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.71
MTNR1B P49286 19/20 0.71
ABCB11 O95342 1/20 0.68
SIGMAR1 Q99720 1/20 0.68
USP2 O75604 1/20 0.68
NQO2 P16083 1/20 0.36

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
SCHEMBL5020073 0.94 MTNR1A (0.69) MTNR1AMTNR1BABCB11SIGMAR1USP2
Hydrochloric Acid SCHEMBL4540516 0.92 MTNR1A (0.67) MTNR1AMTNR1BABCB11SIGMAR1USP2
Hydrochloric Acid SCHEMBL4540512 0.92 MTNR1A (0.67) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL1566592 0.91 MTNR1A (0.66) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL23945053 0.89 MTNR1A (0.72) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL13985221 0.89 MTNR1A (0.72) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL1645941 0.89 MTNR1A (0.68) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL340076 0.84 MTNR1A (0.62) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL11917773 0.84 MTNR1A (0.62) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL12056685 0.84 MTNR1A (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035303-A2 A NOVEL PROCESS FOR SYNTHESIS OF RAMELTEON, AND KEY INTERMEDIATES FOR THE SYNTHESIS OF RAMELTEON CIPLA LIMITED ET AL (IN) 2012-03-22 WO disclosed