SCHEMBL8915045

SCHEMBL8915045

O=C1c2ccccc2C(=O)N1CCN1CCC[C@@H]1Cc1c[nH]c2ccc(CCC3(O)CCCC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 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 6/20 0.45
GAA P10253 2/20 0.44
MEN1 O00255 5/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR6 P50406 6/20 0.40

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
SCHEMBL9034392 0.85 HTR1B (0.52) HTR1BCHRM2HTR1AADRA2ACHRM1
SCHEMBL8914697 0.85 HTR1B (0.51) HTR1BCHRM2HTR1AADRA2ACHRM1
SCHEMBL8914437 0.83 HTR1B (0.49) HTR1BCHRM2HTR1AADRA2ACHRM1
SCHEMBL8915719 0.83 HTR1B (0.47) HTR1BCHRM2HTR1AADRA2ACHRM1
SCHEMBL8916721 0.83 HTR1B (0.51) HTR1BCHRM2HTR1AADRA2ACHRM1
SCHEMBL9394185 0.82 HTR1B (0.48) HTR1BCHRM2HTR1AADRA2ACHRM1
SCHEMBL8915900 0.81 HTR1B (0.48) HTR1BCHRM2HTR1AADRA2ACHRM1
SCHEMBL8917243 0.81 HTR1B (0.48) HTR1BCHRM2HTR1AADRA2ACHRM1
SCHEMBL8917681 0.81 HTR1B (0.49) HTR1BCHRM2HTR1AADRA2ACHRM1
SCHEMBL8917189 0.81 HTR1B (0.49) HTR1BCHRM2HTR1AADRA2ACHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607960-A Indole derivatives as 5-HT1-like agonists for use in migraine PFIZER INC. (US) 1997-03-04 US disclosed
EP-0695301-B1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-10-30 EP disclosed
WO-1994024127-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LIMITED (GB) 1994-10-27 WO disclosed