SCHEMBL3966012

SCHEMBL3966012

Clc1ccc(C2C=CCN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
HTR3A P46098 1/20 0.37
PRCP P42785 1/20 0.36
CHRNA7 P36544 1/20 0.36
SLC6A4 P31645 1/20 0.34
LMNA P02545 2/20 0.33
CYP2A6 P11509 1/20 0.33
KDM1A O60341 1/20 0.33
GAA P10253 2/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8223667 0.77 SLC6A3 (0.47) SLC6A2SLC6A3KDM1AGAAHTR2A
SCHEMBL1741490 0.69 SLC6A2 (0.53) SLC6A2SLC6A3HTR3APRCPCHRNA7
SCHEMBL7369414 0.69 SLC6A2 (0.34) SLC6A2SLC6A3HTR3A
SCHEMBL1069753 0.66 SLC6A3 (0.48) SLC6A2SLC6A3HTR3APRCPCHRNA7
SCHEMBL7110912 0.64 HTR3A (0.47) SLC6A2SLC6A3HTR3APRCPCHRNA7
SCHEMBL170771 0.62 HTR3A (0.50) SLC6A2SLC6A3HTR3APRCPCHRNA7
SCHEMBL11659016 0.61 LMNA (0.42) SLC6A2SLC6A3HTR3ACHRNA7SLC6A4
SCHEMBL28909423 0.60 MECP2 (0.33) HTR3ALMNACYP2A6
SCHEMBL20458673 0.60 LMNA (0.57) HTR3ALMNACYP2A6HTR2AHTR2C
SCHEMBL16398624 0.60 ALOX15 (0.38) SLC6A2SLC6A3HTR3ASLC6A4LMNA

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-2009037350-A2 DIKETOPYRROLO[3,4-c]PYRROLE THIOL/DISULFIDE DYE, COMPOSITION COMPRISING THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-03-26 WO disclosed