SCHEMBL805922

SCHEMBL805922

CCC(=O)NC/C=C1\CCc2ccc3c(c21)CCO3

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 19/20 0.56
MTNR1A P48039 18/20 0.56
NQO2 P16083 2/20 0.50
ABCB11 O95342 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL2881136 1.00 MTNR1B (0.56) MTNR1BMTNR1ANQO2ABCB11SIGMAR1
SCHEMBL793401 1.00 MTNR1B (0.56) MTNR1BMTNR1ANQO2ABCB11SIGMAR1
SCHEMBL14327017 0.81 MTNR1A (0.42) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL805876 0.81 MTNR1A (0.41) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL123166 0.80 MTNR1B (0.54) MTNR1BMTNR1ANQO2ABCB11SIGMAR1
SCHEMBL124498 0.80 MTNR1B (0.44) MTNR1BMTNR1ANQO2ABCB11SIGMAR1
SCHEMBL124497 0.80 MTNR1B (0.44) MTNR1BMTNR1ANQO2ABCB11SIGMAR1
SCHEMBL123165 0.80 MTNR1B (0.54) MTNR1BMTNR1ANQO2ABCB11SIGMAR1
SCHEMBL1646076 0.79 MTNR1B (0.39) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL4688545 0.74 MTNR1B (0.39) MTNR1BMTNR1A

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