SCHEMBL27650693

SCHEMBL27650693

OCC(CCc1ccccc1)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A2 P23975 1/20 0.53
ADA P00813 2/20 0.50
IDO1 P14902 1/20 0.50
SIGMAR1 Q99720 2/20 0.47
MC4R P32245 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7213383 0.83 IDO1 (0.71) SLC6A3SLC6A4SLC6A2IDO1SIGMAR1
SCHEMBL4758350 0.81 IDO1 (0.73) SLC6A3SLC6A4SLC6A2IDO1MC4R
SCHEMBL21055084 0.81 IDO1 (0.73) SLC6A3SLC6A4SLC6A2IDO1MC4R
SCHEMBL9791933 0.76 SIGMAR1 (0.50) SLC6A3SLC6A4SLC6A2SIGMAR1CYP1A2
SCHEMBL7250815 0.75 SLC6A4 (0.71) SLC6A3SLC6A4SLC6A2SIGMAR1CYP1A2
SCHEMBL6570349 0.74 MC4R (0.49) SLC6A3SLC6A4SLC6A2SIGMAR1MC4R
SCHEMBL23013632 0.73 LMNA (0.53) SLC6A3SLC6A4SLC6A2TSHRNPC1
SCHEMBL27364544 0.73 SIGMAR1 (0.50) SLC6A3SIGMAR1MC4RCYP1A2CYP3A4
SCHEMBL23013629 0.73 LMNA (0.53) SLC6A3SLC6A4SLC6A2TSHRNPC1
SCHEMBL4935993 0.73 HRH1 (0.49) SLC6A3SLC6A4SLC6A2IDO1MC4R

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-1814589-A Dermal anesthetic agents BRIDGE PHARMA INC (US) 2006-08-09 CN disclosed