SCHEMBL9540877

SCHEMBL9540877

CC(C)N(C(=O)c1ccc(Br)c(Cl)c1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.47
MAPT P10636 1/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
HSD11B1 P28845 2/20 0.42
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL9540766 0.86 SLC6A2 (0.44) SLC6A9MAPTSLC6A2SLC6A4TSHR
SCHEMBL9543443 0.82 TSHR (0.43) SLC6A9MAPTSLC6A2SLC6A4TSHR
SCHEMBL10453097 0.82 SLC6A9 (0.51) SLC6A9MAPTSLC6A2SLC6A4HSD11B1
SCHEMBL9540784 0.81 MEN1 (0.47) SLC6A9MAPTSLC6A2SLC6A4HSD11B1
SCHEMBL9540773 0.80 SLC6A2 (0.42) SLC6A9MAPTSLC6A2SLC6A4TSHR
SCHEMBL1355474 0.80 HSD11B1 (0.52) SLC6A9HSD11B1TSHRNPC1RAB9A
SCHEMBL12917871 0.75 ALDH1A1 (0.58) SLC6A9MAPTHSD11B1TSHRHPGD
SCHEMBL10453321 0.75 MAPT (0.50) SLC6A9MAPTSLC6A2SLC6A4TSHR
SCHEMBL9542243 0.75 POLB (0.46) SLC6A9MAPTSLC6A2SLC6A4TSHR
SCHEMBL9208637 0.75 SLC6A9 (0.44) SLC6A9MAPTSLC6A2SLC6A4HSD11B1

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
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed