SCHEMBL9015265

SCHEMBL9015265

COc1c(OCc2ccccc2)ccc2c1NCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.44
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
ACACB O00763 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HTR2B P41595 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
SCHEMBL5763910 0.82 ADRA1D (0.42) CHRNA7ADRA1DADRA1AADRA1BHTR1A
SCHEMBL4716745 0.79 MAPT (0.49) HTR2AHTR2CHTR1ASLC6A2SLC6A4
SCHEMBL17583878 0.76 ACACB (0.44) CHRNA7ACACBHTR2AHTR2CHTR1A
SCHEMBL17912878 0.72 MAPT (0.66) ADRA1DADRA1AADRA1BHTR1AMAPK1
SCHEMBL11870778 0.71 SLC6A4 (0.46) HTR2AHTR2CHTR1ASLC6A2SLC6A4
SCHEMBL30702565 0.71 HTR2A (0.49) CHRNA7HTR2AHTR2CHTR1ASLC6A2
SCHEMBL29144623 0.71 HTR2A (0.49) CHRNA7HTR2AHTR2CHTR1ASLC6A2
SCHEMBL13181934 0.70 CYP2C9 (0.40) ADRA1DADRA1AADRA1BSLC6A2SLC6A4
SCHEMBL10912774 0.70 SRC (0.41) ADRA1DADRA1AADRA1BHTR2AHTR2C
SCHEMBL29456016 0.70 KLK5 (0.48) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603322-B1 DYEING COMPOSITION BASED ON HYDROXYINDOLINE DERIVATIVES OREAL (FR) 1996-12-11 EP disclosed
EP-0603322-A1 DYEING COMPOSITION BASED ON HYDROXYINDOLINE DERIVATIVES. OREAL (FR) 1994-06-29 EP disclosed
WO-1993005018-A1 DYEING COMPOSITION BASED ON HYDROXYINDOLINE DERIVATIVES L'OREAL (FR) 1993-03-18 WO disclosed