SCHEMBL8913733

SCHEMBL8913733

CNC(=O)CCCCCN1CCC[C@@H]1Cc1c[nH]c2ccc(CCC(C)(C)O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 11/20 0.48
HTR1D P28221 8/20 0.48
HTR1A P08908 4/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
OPRM1 P35372 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MPO P05164 1/20 0.42
HTR6 P50406 7/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 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
SCHEMBL8921412 0.94 HTR1B (0.51) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8914682 0.86 HTR1B (0.47) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8913559 0.86 HTR1B (0.48) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8915023 0.85 HTR1B (0.51) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8914639 0.85 HTR1B (0.47) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8915703 0.84 HTR1B (0.49) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL9394185 0.82 HTR1B (0.48) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8914386 0.82 HTR1B (0.47) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8915066 0.82 HTR1B (0.54) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8914524 0.81 GABRP (0.56) HTR1BHTR1DHTR1ACHRM2ADRA2A

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