SCHEMBL9464172

SCHEMBL9464172

O=c1[nH]c2ccc(CCCN3CCCCC3)cc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.51
DRD2 P14416 2/20 0.51
SLC6A3 Q01959 2/20 0.51
HTR2A P28223 1/20 0.51
SLC6A2 P23975 1/20 0.51
ALPL P05186 1/20 0.50
TERT O14746 2/20 0.48
GRIN1 Q05586 3/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC6A4 P31645 1/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL9463689 0.99 HTR1A (0.52) HTR1ADRD2SLC6A3HTR2ASLC6A2
SCHEMBL9463759 0.89 HTR1A (0.50) HTR1ADRD2SLC6A3HTR2ASLC6A2
SCHEMBL9465050 0.89 HTR1A (0.55) HTR1ADRD2SLC6A3HTR2ASLC6A2
Hydrochloric Acid SCHEMBL9464214 0.88 HTR1A (0.49) HTR1ADRD2SLC6A3HTR2ASLC6A2
SCHEMBL8948031 0.85 HTR1A (0.49) HTR1ADRD2SLC6A3HTR2ASLC6A2
SCHEMBL10394028 0.83 DRD2 (0.62) HTR1ADRD2SLC6A3HTR2ASLC6A2
SCHEMBL9463532 0.83 HTR1A (0.48) HTR1ADRD2SLC6A3HTR2ASLC6A2
SCHEMBL10393591 0.82 HTR1A (0.59) HTR1ADRD2SLC6A3HTR2ASLC6A2
SCHEMBL4675791 0.80 GRIN1 (0.71) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL10394032 0.79 POLB (0.58) HTR1ADRD2SLC6A3HTR2ASLC6A2

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
US-5182278-A Arterial hypotensive agents ADIR ET COMPAGNIE (FR) 1993-01-26 US disclosed
US-5132305-A Analgesics ADIR ET COMPAGNIE (FR) 1992-07-21 US disclosed