SCHEMBL21075233

SCHEMBL21075233

CC[C@H]1CCN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
SLC6A9 P48067 1/20 0.48
OPRM1 P35372 5/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD1 P21728 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL13596969 1.00 DPP4 (0.55) DPP4L3MBTL1L3MBTL3SLC6A9OPRM1
SCHEMBL13597006 0.90 DPP4 (0.49) DPP4L3MBTL1L3MBTL3SLC6A9OPRM1
SCHEMBL13597004 0.90 L3MBTL1 (0.56) DPP4L3MBTL1L3MBTL3OPRM1CHRM2
SCHEMBL85392 0.86 OPRM1 (0.48) DPP4L3MBTL1L3MBTL3SLC6A9OPRM1
SCHEMBL14026665 0.85 CYP2D6 (0.55) DPP4OPRM1CHRM4ADRA2ACYP2D6
SCHEMBL10280648 0.85 CYP2D6 (0.55) DPP4OPRM1CHRM4ADRA2ACYP2D6
SCHEMBL13596973 0.84 DPP4 (0.67) DPP4L3MBTL1L3MBTL3SLC6A9OPRM1
SCHEMBL5633486 0.83 DPP4 (0.51) DPP4L3MBTL1L3MBTL3SLC6A9OPRM1
SCHEMBL14459926 0.83 DPP4 (0.48) DPP4L3MBTL1L3MBTL3SLC6A9OPRM1
SCHEMBL5633154 0.83 LMNA (0.48) DPP4L3MBTL1L3MBTL3SLC6A9OPRM1

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-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed