SCHEMBL20095504

SCHEMBL20095504

C/N=C/C1CCN(c2cccc(C(F)(F)F)c2)C[C@@H]1N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.44
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ CASR P41180 3/20 0.42
▸ MAPT P10636 4/20 0.41
▸ THRB P10828 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ SCN9A Q15858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ GFER P55789 1/20 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
SCHEMBL20063904 0.80 NOTUM (0.57) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL20095505 0.78 NOTUM (0.52) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL11544167 0.78 NOTUM (0.57) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL20063477 0.76 SCN9A (0.50) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL20063498 0.76 CASR (0.51) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL21904711 0.76 CASR (0.51) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL17754046 0.75 ALDH1A1 (0.59) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL20096221 0.73 NOTUM (0.54) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL20095964 0.73 NOTUM (0.54) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL21838591 0.73 NOTUM (0.57) NOTUMALDH1A1MAPTSCN9ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 — — WO disclosed
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