SCHEMBL3258293

SCHEMBL3258293

CCC(Nc1ccccc1)c1ncc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.50
TAAR1 Q96RJ0 5/20 0.45
VDR P11473 1/20 0.43
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
F7 P08709 1/20 0.39
F2RL1 P55085 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 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
SCHEMBL954734 0.75 CHRM2 (0.45) TAAR1MTORADKNISCHADRA2A
SCHEMBL1845819 0.73 KDM4E (0.46) ADRA2AADRA2CKDM4E
SCHEMBL3784547 0.73 KDM4E (0.46) ADRA2AADRA2CKDM4E
SCHEMBL11384209 0.73 TAAR1 (0.41) FPR2TAAR1VDRMTORADK
SCHEMBL812140 0.72 FPR2 (0.69) FPR2ADRA2AADRA2BADRA2CF2RL1
SCHEMBL3667338 0.72 FPR2 (0.48) FPR2F2RL1
SCHEMBL5693691 0.72 TAAR1 (0.46) FPR2TAAR1MTORADKNISCH
SCHEMBL7421358 0.72 FPR2 (0.51) FPR2
SCHEMBL16132513 0.71 KCNA5 (0.45) F7TDP1GAAALDH1A1
SCHEMBL17985414 0.71 SCN1A (0.49) TDP1GAAKDM4EALDH1A1MAPT

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
EP-2076496-B1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS HOFFMANN LA ROCHE (CH) 2010-03-31 EP claimed