SCHEMBL6422049

SCHEMBL6422049

COc1ccc2c(c1)C(N1CCN(C(=O)OC(C)(C)C)CC1)CCC2

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.73
MTNR1A P48039 5/20 0.63
ALDH1A1 P00352 1/20 0.52
STS P08842 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 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
SCHEMBL6405918 0.87 MTNR1B (0.54) MTNR1BMTNR1ANPC1RAB9A
SCHEMBL5871858 0.86 MTNR1B (0.86) MTNR1BMTNR1A
SCHEMBL6408595 0.86 MTNR1B (0.56) MTNR1BMTNR1ANPC1RAB9A
SCHEMBL2261060 0.85 MTNR1B (0.53) MTNR1BMTNR1AALDH1A1NPC1RAB9A
SCHEMBL6409459 0.85 MTNR1B (0.54) MTNR1BMTNR1ANPC1RAB9A
SCHEMBL2259511 0.85 MTNR1B (0.53) MTNR1BMTNR1ANPC1RAB9A
SCHEMBL8649814 0.84 MTNR1B (1.00) MTNR1BMTNR1AALDH1A1
SCHEMBL8655497 0.83 MTNR1B (0.79) MTNR1BMTNR1A
SCHEMBL6423382 0.83 CHRNA7 (0.51) MTNR1BNPC1RAB9A
SCHEMBL6407452 0.83 MTNR1B (0.52) MTNR1BMTNR1A

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
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed