SCHEMBL10434809

SCHEMBL10434809

COCOc1cccc(C2CCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.50
DRD2 P14416 5/20 0.47
SPHK1 Q9NYA1 1/20 0.44
DRD3 P35462 3/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
KMO O15229 1/20 0.41
PPARG P37231 3/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 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
SCHEMBL10534964 0.82 HPGD (0.51) HTR2CDRD2SPHK1DRD3PRMT5
SCHEMBL7844832 0.81 HTR2C (0.72) HTR2CDRD2HDAC4HDAC2HDAC8
SCHEMBL2571866 0.80 SPHK1 (0.46) HTR2CDRD2SPHK1DRD3PRMT5
Ammonia Solution, Strong SCHEMBL19664329 0.80 HTR2C (0.70) HTR2CDRD2HTR1AADRA1DADRA1A
SCHEMBL2095198 0.80 HTR2C (0.70) HTR2CDRD2KMOHTR1AADRA1D
SCHEMBL1515075 0.78 HTR2C (0.72) HTR2CDRD2HTR1AADRA1DADRA1A
SCHEMBL3076838 0.77 TSHR (0.45) HTR2CDRD2HTR1AADRA1DADRA1A
SCHEMBL13959717 0.77 TAAR1 (0.47) HTR2CDRD2SPHK1DRD3PRMT5
SCHEMBL7640849 0.77 SPHK1 (0.50) HTR2CDRD2SPHK1DRD3PRMT5
SCHEMBL8303700 0.77 ALDH1A1 (0.40) HTR2CDRD2

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-0385663-A2 Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed