SCHEMBL5344673

SCHEMBL5344673

C=CCN(CCc1ccc(N)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 4/20 0.41
GFER P55789 1/20 0.39
MAOA P21397 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RCE1 Q9Y256 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 1/20 0.35
PRSS1 P07477 1/20 0.34
TMPRSS15 P98073 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
SCHEMBL4522760 0.86 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4727500 0.85 KMT2A (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL16107476 0.80 ALDH1A1 (0.51) MEN1KMT2ACA12CA1CA2
SCHEMBL1718309 0.79 ADRB3 (0.41) SMN1; SMN2GFEROPRM1OPRD1OPRK1
SCHEMBL4521290 0.79 MAPT (0.56) SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL11496184 0.76 OPRK1 (0.50) MAOBGFERMAOATDP1OPRM1
SCHEMBL22454599 0.76 TDP1 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28032520 0.74 GFER (0.50) MAOBGFERMAOANPC1RAB9A
SCHEMBL4529675 0.74 TAAR1 (0.49) SMN1; SMN2MEN1KMT2AOPRM1OPRD1
SCHEMBL16107394 0.74 PKM (0.44) SMN1; SMN2OPRM1OPRD1OPRK1

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-1809597-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-07-25 EP disclosed
WO-2006040179-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed