SCHEMBL8979850

SCHEMBL8979850

CN1CCC[C@@H]1Cc1c[nH]c2ccc(-c3cccc(CO)n3)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 11/20 0.60
HTR1D P28221 9/20 0.60
HTR6 P50406 5/20 0.57
HTR1A P08908 2/20 0.57
GABRP O00591 2/20 0.53
GABRD O14764 2/20 0.53
GABRA1 P14867 2/20 0.53
GABRB1 P18505 2/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
GABRA5 P31644 2/20 0.53
GABRA3 P34903 2/20 0.53
GABRA2 P47869 2/20 0.53
GABRB2 P47870 2/20 0.53
GABRA4 P48169 2/20 0.53
GABRE P78334 2/20 0.53
GABRA6 Q16445 2/20 0.53
GABRG1 Q8N1C3 2/20 0.53
GABRG3 Q99928 2/20 0.53
GABRQ Q9UN88 2/20 0.53

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
SCHEMBL8979704 0.83 HTR1B (0.55) HTR1BHTR1DHTR6HTR1A
SCHEMBL9545537 0.83 HTR1B (0.57) HTR1BHTR1DHTR6HTR1A
SCHEMBL8979693 0.82 HTR6 (0.65) HTR1BHTR1DHTR6HTR1AGABRP
SCHEMBL9545526 0.79 HTR1B (0.63) HTR1BHTR1DHTR6HTR1A
SCHEMBL8979688 0.79 HTR1B (0.60) HTR1BHTR1DHTR6HTR1AGABRP
SCHEMBL8979700 0.79 HTR1B (0.68) HTR1BHTR1DHTR6HTR1AGABRP
SCHEMBL8979714 0.77 HTR1B (0.63) HTR1BHTR1DHTR6HTR1AGABRP
SCHEMBL8475793 0.77 HTR6 (0.63) HTR1BHTR1DHTR6HTR1AGABRP
SCHEMBL8879229 0.77 HTR1B (0.76) HTR1BHTR1DHTR6HTR1AGABRP
SCHEMBL7464637 0.77 HTR1B (0.76) HTR1BHTR1DHTR6HTR1AGABRP

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