SCHEMBL8868522

SCHEMBL8868522

CCCCCCc1ccc2occ(CCNC(=O)C3CCC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.62
MTNR1B P49286 8/20 0.62
NQO2 P16083 3/20 0.62
NAAA Q02083 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 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
SCHEMBL8867645 0.96 MTNR1A (0.64) MTNR1AMTNR1BNQO2
SCHEMBL8869020 0.96 MTNR1A (0.64) MTNR1AMTNR1BNQO2SPHK1CNR1
SCHEMBL8867809 0.92 MTNR1A (0.70) MTNR1AMTNR1BNQO2
SCHEMBL8868370 0.92 MTNR1A (0.67) MTNR1AMTNR1BNQO2
SCHEMBL7758969 0.89 MTNR1A (0.70) MTNR1AMTNR1BNQO2
SCHEMBL8868079 0.87 MTNR1A (0.73) MTNR1AMTNR1BNQO2
SCHEMBL8869477 0.86 MTNR1A (0.74) MTNR1AMTNR1BNQO2
SCHEMBL8867347 0.85 MTNR1A (0.72) MTNR1AMTNR1BNQO2
SCHEMBL8867014 0.84 MTNR1A (0.71) MTNR1AMTNR1BNQO2
SCHEMBL8868399 0.84 MTNR1A (0.82) MTNR1AMTNR1BNQO2

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
US-5703121-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1997-12-30 US disclosed