SCHEMBL6553149

SCHEMBL6553149

CCC1(CC)CC1(C(N)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.46
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
OPRM1 P35372 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36
SLC6A2 P23975 6/20 0.36
SLC6A3 Q01959 4/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2C P28335 1/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL29288548 0.92 SLC6A4 (0.43) SLC6A4POLBHTTNPSR1OPRM1
SCHEMBL20249605 0.80 SLC6A4 (0.40) SLC6A4POLBHTTNPSR1OPRM1
SCHEMBL28487473 0.78 SLC6A4 (0.46) SLC6A4POLBHTTNPSR1OPRM1
SCHEMBL31560810 0.74 ELOVL1 (0.44) SLC6A4POLBMEN1KMT2ATSHR
SCHEMBL20249699 0.74 ELOVL1 (0.44) SLC6A4POLBMEN1KMT2ATSHR
SCHEMBL11048173 0.72 SLC6A4 (0.46) SLC6A4POLBHTTNPSR1OPRM1
SCHEMBL28426673 0.72 AKR1C1 (0.53) HTTNPSR1MEN1KMT2ALMNA
SCHEMBL16833940 0.71 SLC6A4 (0.44) SLC6A4POLBHTTNPSR1MEN1
SCHEMBL20242106 0.70 SLC6A4 (0.54) SLC6A4POLBHTTNPSR1OPRM1
SCHEMBL28149790 0.69 AKR1C1 (0.46) SLC6A4POLBMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482921-A1 METHODS OF TREATING ATTENTION DEFICIT/HYPERACTIVITY DISORDER (ADHD) Cypress Bioscience, Inc. (US) 2004-12-08 EP disclosed
WO-2003068211-A1 METHODS OF TREATING ATTENTION DEFICIT/HYPERACTIVITY DISORDER (ADHD) CYPRESS BIOSCIENCE, INC. (US) 2003-08-21 WO disclosed