SCHEMBL5815944

SCHEMBL5815944

O=c1c2ccccc2nnn1CCCN1CCc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HTR7 P34969 4/20 0.49
HTR1A P08908 3/20 0.49
DRD3 P35462 3/20 0.49
DRD2 P14416 2/20 0.48
HRH1 P35367 2/20 0.48
ABCC1 P33527 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47

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 SCHEMBL5821441 0.99 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHTR7HTR1A
SCHEMBL5815713 0.96 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHTR7HTR1A
Hydrochloric Acid SCHEMBL5818575 0.95 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTR7HTR1A
SCHEMBL5821761 0.82 ABCC1 (0.59) MEN1KMT2AABCC1
SCHEMBL29201430 0.74 ALDH1A1 (0.82) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10919578 0.74 KMT2A (0.82) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17950740 0.74 MEN1 (0.68) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5816179 0.74 KMT2A (0.68) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4872274 0.74 KMT2A (0.68) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5821208 0.74 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2

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