SCHEMBL8915512

SCHEMBL8915512

CC(=O)/C=C/c1ccc2[nH]cc(C[C@H]3CCCN3CCC(=O)N(C)C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.45
HTR1D P28221 5/20 0.45
HTR1A P08908 3/20 0.43
HTR6 P50406 9/20 0.41
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 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
SCHEMBL8915516 1.00 HTR1B (0.45) HTR1BHTR1DHTR1AHTR6GABRP
SCHEMBL8914049 0.88 HTR1B (0.46) HTR1BHTR1DHTR1AHTR6GABRP
SCHEMBL8914053 0.88 HTR1B (0.46) HTR1BHTR1DHTR1AHTR6GABRP
SCHEMBL8914537 0.87 HTR1B (0.44) HTR1BHTR1DHTR1AHTR6GABRP
SCHEMBL8914544 0.87 HTR1B (0.44) HTR1BHTR1DHTR1AHTR6GABRP
SCHEMBL8913670 0.84 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8913675 0.84 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8886182 0.84 HTR6 (0.49) HTR1BHTR1DHTR1AHTR6
SCHEMBL8914561 0.83 HTR1B (0.39) HTR1BHTR1DHTR1AHTR6GABRP
SCHEMBL8914553 0.83 HTR1B (0.39) HTR1BHTR1DHTR1AHTR6GABRP

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