SCHEMBL5821612

SCHEMBL5821612

CCOc1ccccc1N1CCN(CCCN2c3ccccc3Sc3cccc(O)c32)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.53
DRD2 P14416 5/20 0.52
HTR1A P08908 5/20 0.52
HTR7 P34969 4/20 0.52
HTR6 P50406 4/20 0.52
HTR2A P28223 3/20 0.52
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD3 P35462 2/20 0.47
DRD4 P21917 1/20 0.47
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46

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 SCHEMBL5821923 0.99 KDM1A (0.52) KDM1ADRD2HTR1AHTR7HTR6
SCHEMBL5816627 0.94 KDM1A (0.48) KDM1ADRD2HTR1AHTR7HTR6
SCHEMBL5816138 0.92 DRD2 (0.52) KDM1ADRD2HTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL5819949 0.92 DRD2 (0.51) KDM1ADRD2HTR1AHTR7HTR2A
SCHEMBL5816386 0.90 DRD2 (0.56) KDM1ADRD2HTR1AHTR7HTR2A
SCHEMBL5805658 0.89 KDM1A (0.67) KDM1ADRD2HTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL5807965 0.88 KDM1A (0.65) KDM1ADRD2HTR1AHTR7HTR6
SCHEMBL5817869 0.87 ADRA1A (0.51) KDM1AHTR1ADRD4ADRA1DADRA1A
SCHEMBL5821135 0.84 KDM1A (0.46) KDM1ADRD2HTR1AHTR7HTR2A
SCHEMBL17079876 0.83 KDM1A (0.74) KDM1ADRD2HTR1AHTR6HTR2A

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