SCHEMBL5721059

SCHEMBL5721059

CON(C)C(=O)C(Cc1ccc(Cl)cc1)n1ccc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
FAAH O00519 1/20 0.41
NR3C2 P08235 1/20 0.40
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
TSPO P30536 1/20 0.37
CCR2 P41597 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPY5R Q15761 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
BIRC5 O15392 1/20 0.35
DRD2 P14416 4/20 0.35
TBXA2R P21731 3/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL3373225 0.77 TDP1 (0.43) FAAHRAB9ATSPOSMN1; SMN2DRD2
SCHEMBL3374322 0.73 SLC6A2 (0.46) SLC6A2SLC6A4RAB9ABIRC5
SCHEMBL3521282 0.72 FAAH (0.42) SLC6A2FAAHPKMRAB9AMAPT
SCHEMBL3370193 0.72 FAAH (0.50) FAAHPKMRAB9AMAPTNPY5R
SCHEMBL5145087 0.70 TP53 (0.42) SLC6A2SLC6A4MAPT
SCHEMBL6331322 0.69 SLC6A2 (0.45) SLC6A2SLC6A4RAB9ABIRC5
SCHEMBL9373755 0.68 HSD17B10 (0.44) SLC6A2SLC6A4PKMRAB9AMAPT
SCHEMBL22800416 0.65 FAAH (0.45) FAAHPKMRAB9ANPY5R
SCHEMBL22800417 0.65 FAAH (0.45) FAAHPKMRAB9ANPY5R
SCHEMBL18838116 0.65 FAAH (0.40) FAAHRAB9AMAPTSMN1; SMN2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682494-A4 ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2006-11-08 EP disclosed
EP-1682494-A1 ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-07-26 EP disclosed
WO-2005044785-A1 ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-05-19 WO disclosed