SCHEMBL8917565

SCHEMBL8917565

CC(O)CCc1ccc2[nH]cc(C[C@H]3CCCN3CC3CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.53
HTR1D P28221 5/20 0.53
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 2/20 0.48
HTR1A P08908 3/20 0.48
CHRM2 P08172 1/20 0.48

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
SCHEMBL8915016 0.86 HTR1B (0.71) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8917288 0.86 GABRP (0.56) HTR1BHTR1DGABRPGABRDGABRA1
SCHEMBL8913482 0.85 HTR1B (0.53) HTR1BHTR1DGABRPGABRDGABRA1
SCHEMBL8913746 0.83 HTR1B (0.49) HTR1BHTR1DGABRPGABRDGABRA1
SCHEMBL8888353 0.83 HTR1B (0.59) HTR1BHTR1DGABRPGABRDGABRA1
SCHEMBL8915304 0.82 HTR1B (0.69) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8888071 0.80 HTR1B (0.58) HTR1BHTR1DGABRPGABRDGABRA1
SCHEMBL8888877 0.80 HTR1B (0.58) HTR1BHTR1DGABRPGABRDGABRA1
SCHEMBL8885017 0.80 HTR1B (0.56) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8887126 0.80 HTR1B (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 5 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
CN-1121348-A Indole derivatives as 5-H1-like agonists for use in migraine PFIZER RES & DEV (IE) 1996-04-24 CN disclosed
EP-0695301-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-02-07 EP disclosed
WO-1994024127-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LIMITED (GB) 1994-10-27 WO disclosed