SCHEMBL8545919

SCHEMBL8545919

Brc1ccc2[nH]cc(C[C@H]3CCCN3CC3CCOCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.52
MAPK1 P28482 1/20 0.51
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49
GABRE P78334 1/20 0.49
GABRA6 Q16445 1/20 0.49
GABRG1 Q8N1C3 1/20 0.49
GABRG3 Q99928 1/20 0.49
GABRQ Q9UN88 1/20 0.49
HTR1B P28222 7/20 0.47
HTR1D P28221 5/20 0.47

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
SCHEMBL8885806 0.92 SLC6A4 (0.57) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL8539366 0.80 HTR1B (0.48) MAPK1GABRPGABRDGABRA1GABRB1
SCHEMBL8885771 0.78 HTR1B (0.59) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL2182107 0.78 HTR1B (0.76) HTR1BHTR1DHTR6HTR1A
SCHEMBL29827195 0.78 HTR1B (0.76) HTR1BHTR1DHTR6HTR1A
SCHEMBL772429 0.78 HTR1B (0.76) HTR1BHTR1DHTR6HTR1A
SCHEMBL697582 0.78 HTR1B (0.76) HTR1BHTR1DHTR6HTR1A
SCHEMBL8916752 0.76 HTR6 (0.49) SLC6A4HTR1BHTR1DHTR6HTR1A
SCHEMBL8888890 0.75 HTR1B (0.60) SLC6A4HTR1BHTR1DHTR6HTR1A
SCHEMBL8979735 0.74 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785933-B1 INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS PFIZER LTD (GB) 1998-03-11 EP disclosed