SCHEMBL9540766

SCHEMBL9540766

Cc1cc(C(=O)N(C(C)C)C2CCCCC2)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A9 P48067 1/20 0.42
CNR2 P34972 1/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRND Q07001 1/20 0.42
MAPT P10636 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL9540877 0.86 SLC6A9 (0.47) SLC6A2SLC6A4SLC6A9CNR2SLC6A3
SCHEMBL9543443 0.84 TSHR (0.43) SLC6A2SLC6A4SLC6A9MAPTMEN1
SCHEMBL9215078 0.83 MEN1 (0.56) SLC6A2SLC6A4CNR2CHRNA1CHRNG
SCHEMBL9543463 0.83 POLB (0.44) SLC6A2SLC6A4SLC6A9CNR2MAPT
SCHEMBL10453097 0.83 SLC6A9 (0.51) SLC6A2SLC6A4SLC6A9MAPTMEN1
SCHEMBL9540784 0.82 MEN1 (0.47) SLC6A2SLC6A4SLC6A9MAPTMEN1
SCHEMBL9540773 0.81 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A9MAPTMEN1
SCHEMBL1355453 0.79 HSD11B1 (0.53) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL12352851 0.78 TSHR (0.50) CNR2MAPTMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL8843682 0.76 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A9CNR2MAPT

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