SCHEMBL3122115

SCHEMBL3122115

Cc1ccccc1COC1CC[N]CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SIGMAR1 Q99720 4/20 0.42
DRD4 P21917 2/20 0.42
TACR1 P25103 2/20 0.42
TMEM97 Q5BJF2 1/20 0.41
ACHE P22303 1/20 0.38
CARM1 Q86X55 5/20 0.38
PRMT6 Q96LA8 5/20 0.38
DCPS Q96C86 1/20 0.37
FFAR1 O14842 2/20 0.36
CYP2A13 Q16696 1/20 0.36

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
SCHEMBL18616204 0.84 EPHX2 (0.48) EPHX2ADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL13806992 0.83 EPHX2 (0.47) EPHX2ADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL3128665 0.80 CARM1 (0.53) TACR1CARM1PRMT6
SCHEMBL1475230 0.80 SLC6A4 (0.51) EPHX2ADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL2090766 0.78 ADRA2A (0.42) ADRA2AADRA2BADRA2CDRD4TACR1
SCHEMBL3118843 0.76 TACR1 (0.46) TACR1CARM1PRMT6FFAR1
SCHEMBL11632158 0.76 EPHX2 (0.41) EPHX2ADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL11561452 0.75 DCPS (0.42) EPHX2ADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL2300380 0.75 OPRM1 (0.51) EPHX2SIGMAR1TMEM97CARM1PRMT6
SCHEMBL3128158 0.74 CARM1 (0.42) EPHX2TACR1CARM1PRMT6DCPS

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