SCHEMBL5029692

SCHEMBL5029692

Cc1nc(N)c(OC(=O)NC2CCCc3ccccc3C2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
ADORA2A P29274 1/20 0.41
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.38
EPHX1 P07099 1/20 0.38
LHCGR P22888 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CHRM4 P08173 2/20 0.36
EPHX2 P34913 1/20 0.36
DRD2 P14416 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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 0.87 MTNR1A (0.45) MTNR1AMTNR1BADORA2AALDH1A1RAB9A
SCHEMBL5027966 0.82 MTNR1A (0.43) MTNR1AMTNR1BADORA2AALDH1A1RAB9A
SCHEMBL5025527 0.78 CNR1 (0.48) MTNR1AMTNR1BADORA2AALDH1A1RAB9A
SCHEMBL5023892 0.76 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1RAB9AFAAH
SCHEMBL5138185 0.73 FAAH (0.41) MTNR1AMTNR1BALDH1A1RAB9AFAAH
SCHEMBL3797385 0.72 MTNR1A (0.47) MTNR1AMTNR1BADORA2AALDH1A1RAB9A
SCHEMBL5025385 0.72 FAAH (0.46) MTNR1AMTNR1BALDH1A1RAB9AFAAH
SCHEMBL5095607 0.72 FAAH (0.46) MTNR1AMTNR1BALDH1A1RAB9AFAAH
SCHEMBL5138795 0.72 FAAH (0.46) MTNR1AMTNR1BALDH1A1RAB9AFAAH
SCHEMBL3797272 0.71 MTNR1A (0.46) MTNR1AMTNR1BADORA2AALDH1A1RAB9A

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