SCHEMBL7970691

SCHEMBL7970691

CC(=O)NCCC1CCCc2ccc(OCCCCOc3ccc4c(c3)C(CCNC(C)=O)CCO4)cc21

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.76
MTNR1B P49286 15/20 0.76
NQO2 P16083 8/20 0.57
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL7017326 0.90 MTNR1A (0.75) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7021471 0.89 MTNR1A (0.86) MTNR1AMTNR1BNQO2
SCHEMBL5223857 0.81 MTNR1A (0.72) MTNR1AMTNR1BNQO2
SCHEMBL7950130 0.80 MTNR1A (0.86) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7104353 0.80 MTNR1A (0.86) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7016105 0.80 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL5345247 0.79 MTNR1A (0.66) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL5343877 0.78 MTNR1A (0.64) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL4266523 0.76 MTNR1A (0.66) MTNR1AMTNR1BNQO2
SCHEMBL7952490 0.76 MTNR1A (0.75) MTNR1AMTNR1BNQO2TRPV1

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-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 US disclosed