SCHEMBL5023892

SCHEMBL5023892

Cc1cnc(OC(=O)NC2CCCc3ccccc3C2)cn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.49
MTNR1B P49286 5/20 0.49
EPHX1 P07099 2/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FAAH O00519 1/20 0.37
LHCGR P22888 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL5025541 0.81 MTNR1A (0.45) MTNR1AMTNR1BEPHX1ALDH1A1RAB9A
SCHEMBL3795877 0.77 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL5025527 0.76 CNR1 (0.48) MTNR1AMTNR1BEPHX1ALDH1A1RAB9A
SCHEMBL5029692 0.76 MTNR1A (0.44) MTNR1AMTNR1BEPHX1ALDH1A1RAB9A
SCHEMBL5027966 0.75 MTNR1A (0.43) MTNR1AMTNR1BEPHX1ALDH1A1RAB9A
SCHEMBL3801828 0.75 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1RAB9ALMNA
SCHEMBL5138185 0.75 FAAH (0.41) MTNR1AMTNR1BALDH1A1RAB9ALMNA
SCHEMBL3797551 0.74 ALDH1A1 (0.49) MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL3797548 0.74 ALDH1A1 (0.49) MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL3388818 0.72 MTNR1A (0.62) MTNR1AMTNR1BRAB9ALMNA

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