SCHEMBL9117342

SCHEMBL9117342

CCc1ccccc1N1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnnc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 18/20 0.53
HTR1B P28222 17/20 0.53
GABRP O00591 2/20 0.51
GABRD O14764 2/20 0.51
GABRA1 P14867 2/20 0.51
GABRB1 P18505 2/20 0.51
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA5 P31644 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
GABRA4 P48169 2/20 0.51
GABRE P78334 2/20 0.51
GABRA6 Q16445 2/20 0.51
GABRG1 Q8N1C3 2/20 0.51
GABRG3 Q99928 2/20 0.51
GABRQ Q9UN88 2/20 0.51

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
SCHEMBL9117455 0.82 HTR1D (0.54) HTR1DHTR1BGABRPGABRDGABRA1
SCHEMBL9021850 0.82 HTR1B (0.68) HTR1DHTR1BGABRPGABRDGABRA1
SCHEMBL9077698 0.82 HTR1B (0.68) HTR1DHTR1BGABRPGABRDGABRA1
SCHEMBL7804070 0.79 HTR1D (0.65) HTR1DHTR1B
SCHEMBL7804905 0.79 HTR1D (0.65) HTR1DHTR1B
SCHEMBL7804051 0.77 HTR1D (0.73) HTR1DHTR1B
SCHEMBL7808656 0.76 GABRP (0.65) HTR1DHTR1BGABRPGABRDGABRA1
SCHEMBL7804074 0.73 HTR1D (0.62) HTR1DHTR1BGABRPGABRDGABRA1
SCHEMBL27700473 0.73 HTR1D (0.60) HTR1DHTR1B
SCHEMBL7798117 0.72 HTR1D (0.64) HTR1DHTR1BGABRPGABRDGABRA1

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
WO-1995021166-A1 TRIAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1995-08-10 WO disclosed