SCHEMBL3639489

SCHEMBL3639489

CC(Nc1[c]ccc(N2CCN(C)CC2)c1)C1CNC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.35
ADRA2C P18825 1/20 0.35
HTR3A P46098 1/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
PTK2B Q14289 1/20 0.33
HTR6 P50406 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LRRK2 Q5S007 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32

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
SCHEMBL3511179 0.77 HRH4 (0.36) HRH4ADRA2CHTR3AGAAKDM4E
SCHEMBL591556 0.74 ADRA2C (0.38) HRH4ADRA2CHTR3AGAAKDM4E
SCHEMBL589723 0.74 ADRA2C (0.38) HRH4ADRA2CHTR3AGAAKDM4E
SCHEMBL591108 0.74 ADRA2C (0.38) HRH4ADRA2CHTR3AGAAKDM4E
SCHEMBL589574 0.72 INSR (0.37) HRH4ADRA2CHTR3AGAAKDM4E
SCHEMBL3510538 0.72 HRH4 (0.44) HRH4ADRA2CHTR3AGAAKDM4E
SCHEMBL3512487 0.71 HRH4 (0.51) HRH4ADRA2CHTR3AGAAKDM4E
SCHEMBL3510642 0.71 KDM4E (0.40) ADRA2CHTR3AGAAKDM4EMAPT
SCHEMBL3511703 0.71 HRH4 (0.45) HRH4ADRA2CHTR3AGAAKDM4E
SCHEMBL3512014 0.70 HTR3A (0.46) HRH4ADRA2CHTR3ARECQLHTR6

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
EP-2176231-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2010-04-21 EP disclosed
WO-2009013126-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-29 WO disclosed