SCHEMBL27536627

SCHEMBL27536627

O=C(O)CCC(c1ccccc1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
OPRD1 P41143 1/20 0.46
CACNA2D1 P54289 2/20 0.45
CACNA1B Q00975 2/20 0.45
CACNB1 Q02641 2/20 0.45
SOS1 Q07889 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
SMYD3 Q9H7B4 3/20 0.42
MCHR1 Q99705 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL8129252 0.91 FFAR1 (0.44) FFAR1OPRD1CACNA2D1CACNA1BCACNB1
SCHEMBL5652288 0.84 MEN1 (0.58) FFAR1MEN1KMT2APKMCTDSP1
SCHEMBL1697227 0.79 SLC6A2 (0.59) OPRD1CACNA2D1CACNA1BCACNB1SOS1
SCHEMBL27626466 0.79 FFAR1 (0.50) FFAR1OPRD1CACNA2D1CACNA1BCACNB1
SCHEMBL9381630 0.76 SOS1 (0.45) OPRD1SOS1SLC6A2SLC6A4SLC6A3
SCHEMBL93039 0.76 OPRD1 (0.48) OPRD1SOS1PKMCTDSP1SLC6A2
SCHEMBL5781131 0.74 SLC6A2 (0.49) CACNA2D1CACNA1BCACNB1SOS1SLC6A2
Hydrochloric Acid SCHEMBL8786951 0.74 SLC6A2 (0.47) OPRD1SOS1SLC6A2SLC6A4SLC6A3
SCHEMBL30982192 0.74 KMT2A (0.57) FFAR1MEN1KMT2APKMCTDSP1
SCHEMBL30982183 0.73 KMT2A (0.63) FFAR1MEN1KMT2APKMCTDSP1

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
CN-1094039-A Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1994-10-26 CN disclosed