SCHEMBL8540823

SCHEMBL8540823

CC(C)(O)CCc1ccc2[nH]cc(C[C@H]3CCCN3C[C@H]3CCN(S(C)(=O)=O)C3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 10/20 0.47
HTR1A P08908 5/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
OPRM1 P35372 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HTR1D P28221 7/20 0.46
HTR2A P28223 2/20 0.40
LMNA P02545 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39

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
SCHEMBL8913482 0.87 HTR1B (0.53) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8540735 0.87 HTR1B (0.49) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8541457 0.87 HTR1B (0.49) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8545989 0.85 HTR1B (0.49) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8545983 0.83 HTR1B (0.46) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8545980 0.83 HTR1B (0.46) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8539123 0.83 HTR1B (0.48) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8539366 0.83 HTR1B (0.48) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8539118 0.83 HTR1B (0.48) HTR1BHTR1ACHRM2ADRA2ACHRM1
SCHEMBL8915333 0.83 HTR1B (0.54) HTR1BHTR1ACHRM2ADRA2ACHRM1

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
EP-0785933-B1 INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS PFIZER LTD (GB) 1998-03-11 EP disclosed