SCHEMBL20138488

SCHEMBL20138488

NC(=O)C(CCc1ccccc1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.43
CPB2 Q96IY4 1/20 0.43
GBA1 P04062 1/20 0.41
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
OPRD1 P41143 1/20 0.39
HRH1 P35367 1/20 0.39
ANPEP P15144 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 1/20 0.39
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL27536629 0.88 CPN1 (0.53) CPN1CPB2GBA1SLC6A4SLC6A2
SCHEMBL27832973 0.85 CPN1 (0.45) CPN1CPB2GBA1OPRD1CACNA2D1
SCHEMBL8129250 0.80 CPN1 (0.50) CPN1CPB2GBA1SLC6A3OPRD1
SCHEMBL31381427 0.77 CPN1 (0.45) CPN1CPB2SLC6A4SLC6A2SLC6A3
SCHEMBL7875085 0.77 GBA1 (0.47) GBA1SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL8969997 0.77 GBA1 (0.47) GBA1SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL4156782 0.77 EPHX1 (0.43) CPN1CPB2GBA1SLC6A4SLC6A2
SCHEMBL4156781 0.77 EPHX1 (0.43) CPN1CPB2GBA1SLC6A4SLC6A2
SCHEMBL22610142 0.75 MFN2 (0.43)
SCHEMBL22610143 0.75 MFN2 (0.43)

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
US-20180132516-A1 POSITIVE ALLOSTERIC MODULATORS OF SWEET TASTE SENSORYGEN INC (US) 2018-05-17 US disclosed