SCHEMBL4006928

SCHEMBL4006928

O=C(NC1CCCN(c2ccccc2)C1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CTSL P07711 1/20 0.59
CTSB P07858 1/20 0.59
CTSK P43235 1/20 0.59
DRD2 P14416 3/20 0.58
DRD4 P21917 3/20 0.58
MCHR1 Q99705 2/20 0.57
CNR1 P21554 1/20 0.56
PPARA Q07869 6/20 0.55
PPARD Q03181 4/20 0.55
SMYD3 Q9H7B4 3/20 0.54
USP30 Q70CQ3 1/20 0.54
NAMPT P43490 1/20 0.51
PPARG P37231 2/20 0.51

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
SCHEMBL4006925 1.00 MEN1 (0.61) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL31759487 0.89 CNR1 (0.71) SMN1; SMN2DRD2DRD4CNR1PPARA
SCHEMBL31759405 0.89 CNR1 (0.71) SMN1; SMN2DRD2DRD4CNR1PPARA
SCHEMBL4005581 0.86 USP30 (0.61) NPC1CNR1PPARAPPARDSMYD3
SCHEMBL4005574 0.86 USP30 (0.61) NPC1CNR1PPARAPPARDSMYD3
SCHEMBL4006830 0.85 PPARD (0.59) MEN1RAB9AKMT2ACNR1PPARA
SCHEMBL4006837 0.85 PPARD (0.59) MEN1RAB9AKMT2ACNR1PPARA
SCHEMBL19998573 0.83 MEN1 (0.62) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4011287 0.82 CNR1 (0.64) SMN1; SMN2DRD2CNR1PPARAPPARD
SCHEMBL4011282 0.82 CNR1 (0.64) SMN1; SMN2DRD2CNR1PPARAPPARD

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-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed