SCHEMBL3122879

SCHEMBL3122879

FC(F)(F)c1cccc2c1CC[N]C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
PHGDH O43175 1/20 0.32
TEAD1 P28347 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32
AXL P30530 1/20 0.32
ACACB O00763 1/20 0.32
AADAT Q8N5Z0 1/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
TRPV3 Q8NET8 1/20 0.31
HTR2A P28223 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL597207 0.86 NOTUM (0.36) NOTUMTAAR1ALDH1A1L3MBTL1GRM5
SCHEMBL2299356 0.78 CCR3 (0.33) HTR2CHTR2BHTR2A
SCHEMBL586140 0.76 DRD2 (0.44)
SCHEMBL3243261 0.76 TRPA1 (0.37)
Ammonia Solution, Strong SCHEMBL28101207 0.75 NOTUM (0.40) NOTUMALDH1A1L3MBTL1CHRNB2CHRNA4
SCHEMBL2301748 0.74 SCN9A (0.36) ALDH1A1L3MBTL1
SCHEMBL13535454 0.73 BCL2L1 (0.50) NOTUMALDH1A1L3MBTL1PHGDHACACB
SCHEMBL18559928 0.73 BCL2L1 (0.45) NOTUMTAAR1ALDH1A1PHGDHTEAD1
SCHEMBL586408 0.72 ADRA2A (0.47) TAAR1HTR2CHTR2A
SCHEMBL5548417 0.72 AKR1C3 (0.31)

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