SCHEMBL5821135

SCHEMBL5821135

Oc1cccc2c1N(CCCN1CCN(c3ccccc3OC3CCCC3)CC1)c1ccccc1S2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.46
HTR1A P08908 6/20 0.44
HTR7 P34969 3/20 0.44
DRD3 P35462 3/20 0.41
LMNA P02545 2/20 0.41
ADRA2A P08913 2/20 0.41
DRD2 P14416 2/20 0.41
SLC6A2 P23975 2/20 0.41
MAPK1 P28482 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41

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
Hydrochloric Acid SCHEMBL5816094 0.99 KDM1A (0.45) KDM1AHTR1AHTR7DRD3LMNA
SCHEMBL5807697 0.89 KDM1A (0.57) KDM1AHTR1AHTR7DRD3LMNA
Hydrochloric Acid SCHEMBL5808304 0.88 KDM1A (0.56) KDM1AHTR1AHTR7DRD3LMNA
SCHEMBL5816386 0.85 DRD2 (0.56) KDM1AHTR1AHTR7DRD3DRD2
SCHEMBL5821612 0.84 KDM1A (0.53) KDM1AHTR1AHTR7DRD3DRD2
SCHEMBL5817869 0.83 ADRA1A (0.51) KDM1AHTR1AADRA1A
Hydrochloric Acid SCHEMBL5821923 0.83 KDM1A (0.52) KDM1AHTR1AHTR7DRD3DRD2
SCHEMBL5816138 0.82 DRD2 (0.52) KDM1AHTR1AHTR7DRD3DRD2
Hydrochloric Acid SCHEMBL5819949 0.81 DRD2 (0.51) KDM1AHTR1AHTR7DRD3DRD2
SCHEMBL5809382 0.81 KDM1A (0.50) KDM1AHTR1AHTR7DRD3LMNA

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-2006117760-A1 ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed