SCHEMBL8869477

SCHEMBL8869477

CCc1ccc2occ(CCNC(=O)C3CCCC3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.74
MTNR1B P49286 7/20 0.74
NQO2 P16083 3/20 0.74
TP53 P04637 2/20 0.51
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8867347 0.99 MTNR1A (0.72) MTNR1AMTNR1BNQO2TP53
SCHEMBL7758969 0.98 MTNR1A (0.70) MTNR1AMTNR1BNQO2TP53MAPT
SCHEMBL8867014 0.95 MTNR1A (0.71) MTNR1AMTNR1BNQO2TP53MAPT
SCHEMBL8867809 0.90 MTNR1A (0.70) MTNR1AMTNR1BNQO2
SCHEMBL8867645 0.88 MTNR1A (0.64) MTNR1AMTNR1BNQO2
SCHEMBL8868079 0.88 MTNR1A (0.73) MTNR1AMTNR1BNQO2
SCHEMBL8868522 0.86 MTNR1A (0.62) MTNR1AMTNR1BNQO2
SCHEMBL8868370 0.86 MTNR1A (0.67) MTNR1AMTNR1BNQO2
SCHEMBL8868056 0.86 MTNR1A (0.63) MTNR1AMTNR1BNQO2
SCHEMBL5336186 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2SMN1; SMN2

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