SCHEMBL4006927

SCHEMBL4006927

O=C(N[C@]1(c2ccccc2)CCCNC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.49
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TACR3 P29371 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
SSTR4 P31391 1/20 0.42
HDAC1 Q13547 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TTK P33981 2/20 0.41
LMNA P02545 2/20 0.41
PDE2A O00408 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL4000824 0.86 SLC6A9 (0.49) SLC6A9ROCK2ROCK1NPC1RAB9A
SCHEMBL4006834 0.85 SLC6A9 (0.56) SLC6A9ROCK2ROCK1NPC1RAB9A
SCHEMBL4011286 0.82 SLC6A9 (0.50) SLC6A9TACR3SSTR4HDAC1HSD17B10
SCHEMBL1109553 0.79 CTSL (0.51) NPC1RAB9ACTDSP1CTSLCTSB
SCHEMBL4010839 0.78 SLC6A9 (0.51) SLC6A9NPC1RAB9ATACR3SSTR4
SCHEMBL4003575 0.77 ALDH1A1 (0.58) SLC6A9ROCK2ROCK1NPC1RAB9A
SCHEMBL10605790 0.77 LMNA (0.51) ROCK2ROCK1TACR3CTSLSSTR4
SCHEMBL9786501 0.76 HDAC1 (0.49) ROCK2ROCK1SSTR4HDAC1MEN1
SCHEMBL4006087 0.74 SSTR4 (0.54) SLC6A9NPC1RAB9ASSTR4HDAC1
SCHEMBL4007365 0.74 SSTR4 (0.54) SLC6A9NPC1RAB9ASSTR4HDAC1

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