SCHEMBL8575554

SCHEMBL8575554

Cc1ccc(C#CC2C(O)C3CCN2CC3)nc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.33
CHRNA7 P36544 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
GRM5 P41594 2/20 0.32
OGA O60502 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL8575385 0.85 CHRNA7 (0.33) CHRNA7
SCHEMBL8573706 0.74 TTR (0.41) CHRNA7GRM5OGAKCNH2
SCHEMBL8571782 0.73 CHRNB2 (0.33) CHRNA7
SCHEMBL8574139 0.70 CHRNA7 (0.50) CHRNA7GRM5
Hydrochloric Acid SCHEMBL8578709 0.69 CHRNA7 (0.49) CHRNA7GRM5
SCHEMBL8921096 0.69 ALDH1A1 (0.35) SLC18A3CHRNA7
SCHEMBL8574500 0.68 ACACB (0.39)
SCHEMBL8705669 0.67 ACACB (0.39) GPR119
SCHEMBL8712010 0.67 CYP1A1 (0.38) SLC18A3GRM5KCNH2
SCHEMBL8920052 0.66 KMT2A (0.53) SLC18A3

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-5731323-A Quinuclidine derivatives as squalene synthase inhibitors ZENECA LIMITED (GB) 1998-03-24 US claimed
US-5731323-A Quinuclidine derivatives as squalene synthase inhibitors ZENECA LIMITED (GB) 1998-03-24 US disclosed