SCHEMBL8840949

SCHEMBL8840949

O=C1CC2CCCc3sccc3C2=NN1c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.43
BCHE P06276 5/20 0.43
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 7/20 0.36
HTR6 P50406 4/20 0.36
HTR7 P34969 3/20 0.36
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL8840973 0.93 ACHE (0.48) ACHEBCHEALDH1A1MAPTLMNA
SCHEMBL9738670 0.90 ACHE (0.41) ACHEBCHEALDH1A1MAPTMEN1
SCHEMBL9737830 0.86 APP (0.40) ACHEBCHEALDH1A1MAPTLMNA
SCHEMBL9738054 0.83 MAPT (0.41) ALDH1A1MAPTLMNAMEN1HTT
SCHEMBL9737592 0.83 MAPT (0.36) ALDH1A1MAPTLMNAMEN1HTT
SCHEMBL8840999 0.82 ACHE (0.47) ACHEBCHEALDH1A1MAPTHTT
SCHEMBL7290309 0.81 ALDH1A1 (0.41) ACHEBCHEALDH1A1MAPTLMNA
SCHEMBL9738376 0.81 ACHE (0.42) ACHEBCHEMEN1KMT2AHTR1A
SCHEMBL8840956 0.79 GABRP (0.50) ALDH1A1MAPTLMNAMEN1HTT
SCHEMBL7289927 0.78 ALDH1A1 (0.36) ACHEBCHEALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153194-A Anxiolytic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-06 US claimed
US-5597918-A ANXIOLYTIC AGENTS, SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-28 US disclosed
EP-0601184-A1 FUSED PYRIDAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-15 EP disclosed
US-5153194-A Anxiolytic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-06 US disclosed