SCHEMBL7167995

SCHEMBL7167995

CC(=O)NCCCc1c(CCCc2ccccc2)oc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.69
MTNR1B P49286 15/20 0.69
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
EPHX2 P34913 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
SCHEMBL7165844 0.94 MTNR1A (0.70) MTNR1AMTNR1BNPC1RAB9AEPHX2
SCHEMBL7168613 0.88 MTNR1A (0.60) MTNR1AMTNR1BNPC1RAB9A
SCHEMBL7171025 0.87 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL7169122 0.84 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL7173385 0.82 MTNR1A (0.58) MTNR1AMTNR1BNPC1RAB9A
SCHEMBL8116804 0.81 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7165829 0.81 MTNR1A (0.59) MTNR1AMTNR1BNPC1RAB9A
SCHEMBL8133068 0.79 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL422827 0.79 L3MBTL1 (0.68) MTNR1AMTNR1BNPC1RAB9AEPHX2
SCHEMBL7171634 0.78 MTNR1A (0.59) MTNR1AMTNR1BNPC1RAB9A

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-6569894-B1 Such as N-(3-(2-(4-phenylbutyl)-2,3-dihydrobenzofuran-4-yl)propyl)acetamide for treating circadian rhythm-related disorders BRISTOL-MYERS SQUIBB COMPANY 2003-05-27 US disclosed