SCHEMBL3130245

SCHEMBL3130245

N#Cc1ccc(COC2CC[N]CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
TACR1 P25103 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.42
GAA P10253 2/20 0.40
MAOB P27338 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
NAAA Q02083 6/20 0.39
CYP2A6 P11509 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7062835 0.85 DRD4 (0.58) DRD4TMEM97SIGMAR1SLC6A2SLC6A4
SCHEMBL8449011 0.83 DRD4 (0.56) DRD4TMEM97SIGMAR1SLC6A2SLC6A4
SCHEMBL3118256 0.82 SLC6A2 (0.62) DRD4TMEM97SIGMAR1SLC6A2SLC6A4
SCHEMBL507357 0.81 DRD4 (0.48) DRD4TMEM97SIGMAR1SLC6A2SLC6A4
SCHEMBL24493163 0.78 HRH3 (0.61) DRD4TMEM97SIGMAR1SLC6A2SLC6A4
SCHEMBL29119715 0.78 NAAA (0.59) DRD4TMEM97SIGMAR1SLC6A2SLC6A4
SCHEMBL3113350 0.78 CARM1 (0.51) SLC6A2SLC6A4SLC6A3MAOBNPC1
SCHEMBL3121141 0.78 CARM1 (0.51) DRD4SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3118428 0.78 NAAA (0.48) DRD4TMEM97SIGMAR1TACR1NAAA
SCHEMBL2300380 0.78 OPRM1 (0.51) TMEM97SIGMAR1SLC6A2SLC6A4SLC6A3

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed