SCHEMBL1387143

SCHEMBL1387143

CC(=O)NCCC1CCCc2ccc3c(c21)CCO3

nearest known ligand 0.89

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 20/20 0.89
MTNR1A P48039 19/20 0.89
ABCB11 O95342 1/20 0.69
SIGMAR1 Q99720 1/20 0.69
USP2 O75604 1/20 0.69
NQO2 P16083 1/20 0.49

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
SCHEMBL1567415 0.93 MTNR1A (1.00) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL1567007 0.93 MTNR1A (1.00) MTNR1BMTNR1AABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL338730 0.82 MTNR1A (1.00) MTNR1BMTNR1AABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL29827337 0.82 MTNR1A (1.00) MTNR1BMTNR1AABCB11SIGMAR1USP2
Ramelteon SCHEMBL29237 0.82 MTNR1A (1.00) MTNR1BMTNR1AABCB11SIGMAR1USP2
Ramelteon SCHEMBL29380213 0.82 MTNR1A (1.00) MTNR1BMTNR1AABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL1566122 0.82 MTNR1A (1.00) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL1612991 0.81 MTNR1A (0.78) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL3071955 0.80 MTNR1A (0.76) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL14863848 0.80 MTNR1A (0.76) MTNR1BMTNR1AABCB11SIGMAR1USP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H10502336-A 1998-03-03 JP claimed
EP-0821681-A1 NAPHTHALENE DERIVATIVES, METHOD OF PREPARATION AND USE GLAXO GROUP LIMITED (GB) 1998-02-04 EP claimed
WO-1995029173-A1 NAPHTHALENE DERIVATIVES, METHOD OF PREPARATION AND USE GLAXO GROUP LIMITED (GB) 1995-11-02 WO claimed