SCHEMBL5138795

SCHEMBL5138795

Cc1nc2cc(OC(=O)NC3CCCc4ccccc4C3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
EPHX1 P07099 1/20 0.46
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
LHCGR P22888 1/20 0.39

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
SCHEMBL5025385 0.92 FAAH (0.46) FAAHEPHX1MTNR1AMTNR1BALDH1A1
SCHEMBL5095607 0.92 FAAH (0.46) FAAHEPHX1MTNR1AMTNR1BALDH1A1
SCHEMBL5026046 0.79 FAAH (0.53) FAAHEPHX1ALDH1A1RAB9ALHCGR
SCHEMBL3394417 0.77 MTNR1A (0.49) MTNR1AMTNR1BRAB9A
SCHEMBL3394652 0.77 MTNR1A (0.49) MTNR1AMTNR1BRAB9A
SCHEMBL2459033 0.72 SMYD3 (0.43) RAB9A
SCHEMBL5025527 0.72 CNR1 (0.48) FAAHEPHX1MTNR1AMTNR1BALDH1A1
SCHEMBL5029692 0.72 MTNR1A (0.44) FAAHEPHX1MTNR1AMTNR1BALDH1A1
SCHEMBL5023892 0.71 MTNR1A (0.49) FAAHEPHX1MTNR1AMTNR1BALDH1A1
SCHEMBL15092192 0.71 PDGFRB (0.51) ALDH1A1RAB9A

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