SCHEMBL8979693

SCHEMBL8979693

CN1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccccn3)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.65
HTR1B P28222 8/20 0.64
HTR1D P28221 5/20 0.64
GABRP O00591 4/20 0.61
GABRD O14764 4/20 0.61
GABRA1 P14867 4/20 0.61
GABRB1 P18505 4/20 0.61
GABRG2 P18507 4/20 0.61
GABRB3 P28472 4/20 0.61
GABRA5 P31644 4/20 0.61
GABRA3 P34903 4/20 0.61
GABRA2 P47869 4/20 0.61
GABRB2 P47870 4/20 0.61
GABRA4 P48169 4/20 0.61
GABRE P78334 4/20 0.61
GABRA6 Q16445 4/20 0.61
GABRG1 Q8N1C3 4/20 0.61
GABRG3 Q99928 4/20 0.61
GABRQ Q9UN88 4/20 0.61
HTR1A P08908 3/20 0.61

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
SCHEMBL8979700 0.84 HTR1B (0.68) HTR6HTR1BHTR1DGABRPGABRD
SCHEMBL8472864 0.83 HTR1B (0.64) HTR6HTR1BHTR1DGABRPGABRD
SCHEMBL8979714 0.82 HTR1B (0.63) HTR6HTR1BHTR1DGABRPGABRD
SCHEMBL8979850 0.82 HTR1B (0.60) HTR6HTR1BHTR1DGABRPGABRD
SCHEMBL8475793 0.80 HTR6 (0.63) HTR6HTR1BHTR1DGABRPGABRD
SCHEMBL28009738 0.80 HTR6 (0.62) HTR6HTR1BHTR1DGABRPGABRD
SCHEMBL772623 0.79 HTR6 (1.00) HTR6HTR1BHTR1DGABRPGABRD
SCHEMBL798334 0.79 HTR6 (1.00) HTR6HTR1BHTR1DGABRPGABRD
SCHEMBL29827369 0.79 HTR6 (1.00) HTR6HTR1BHTR1DGABRPGABRD
SCHEMBL8686525 0.79 HTR1B (0.67) HTR6HTR1BHTR1DHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 US disclosed
WO-1993021178-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 WO disclosed