SCHEMBL5025541

SCHEMBL5025541

Cc1cnc(OC(=O)NC2CCCc3ccccc3C2)c(N)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.45
MTNR1B P49286 5/20 0.45
ADORA2A P29274 1/20 0.39
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 1/20 0.38
FAAH O00519 1/20 0.37
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM4 P08173 2/20 0.35
MAPKAPK2 P49137 1/20 0.35
LHCGR P22888 1/20 0.34

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
SCHEMBL5029692 0.87 MTNR1A (0.44) MTNR1AMTNR1BADORA2AALDH1A1RAB9A
SCHEMBL5027966 0.85 MTNR1A (0.43) MTNR1AMTNR1BADORA2AALDH1A1RAB9A
SCHEMBL5023892 0.81 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1RAB9AFAAH
SCHEMBL5025527 0.74 CNR1 (0.48) MTNR1AMTNR1BADORA2AALDH1A1RAB9A
SCHEMBL3797385 0.74 MTNR1A (0.47) MTNR1AMTNR1BADORA2AALDH1A1RAB9A
SCHEMBL5138185 0.73 FAAH (0.41) MTNR1AMTNR1BALDH1A1RAB9AFAAH
SCHEMBL5025385 0.72 FAAH (0.46) MTNR1AMTNR1BALDH1A1RAB9AFAAH
SCHEMBL5095607 0.72 FAAH (0.46) MTNR1AMTNR1BALDH1A1RAB9AFAAH
SCHEMBL3795877 0.71 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL5138795 0.70 FAAH (0.46) MTNR1AMTNR1BALDH1A1RAB9AFAAH

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
EP-1362027-B1 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2008-05-21 EP claimed