SCHEMBL5025527

SCHEMBL5025527

Cc1nc(C)c(OC(=O)NC2CCCc3ccccc3C2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
CNR2 P34972 1/20 0.48
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM4 P08173 2/20 0.39
FAAH O00519 1/20 0.38

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 0.78 MTNR1A (0.44) CNR1CNR2MTNR1AMTNR1BALDH1A1
SCHEMBL5023892 0.76 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1RAB9ALMNA
SCHEMBL5025541 0.74 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1RAB9ALMNA
SCHEMBL3390946 0.74 CNR1 (0.61) CNR1CNR2MTNR1AMTNR1BRAB9A
SCHEMBL6515251 0.74 CNR1 (0.61) CNR1CNR2MTNR1AMTNR1BRAB9A
SCHEMBL5025385 0.72 FAAH (0.46) MTNR1AMTNR1BALDH1A1RAB9ALMNA
SCHEMBL5138795 0.72 FAAH (0.46) MTNR1AMTNR1BALDH1A1RAB9AFAAH
SCHEMBL5095607 0.72 FAAH (0.46) MTNR1AMTNR1BALDH1A1RAB9ALMNA
SCHEMBL5027966 0.71 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1RAB9AFAAH
SCHEMBL5138185 0.71 FAAH (0.41) MTNR1AMTNR1BALDH1A1RAB9ALMNA

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