SCHEMBL30703554

SCHEMBL30703554

Clc1ccc(OCC23CCC(CC2)CC3)cn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.52
CHRNA4 P43681 6/20 0.52
CHRNA3 P32297 6/20 0.50
CHRNB4 P30926 3/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNB1 P11230 1/20 0.45
CHRNB3 Q05901 1/20 0.45
CYP2D6 P10635 2/20 0.44

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
SCHEMBL31355027 0.76 CYP4A11 (0.41)
SCHEMBL31355010 0.76 CYP4F2 (0.34) CHRNB2CHRNA4CHRNA3
SCHEMBL31354991 0.75 CYP4A11 (0.33) CHRNB2CHRNA4
SCHEMBL30703558 0.73 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL6137867 0.72 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL4642642 0.72 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4642488 0.72 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL10188236 0.71 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL6290953 0.71 CHRNB2 (0.48) CHRNB2CHRNA4
SCHEMBL4642745 0.71 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543848-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA Pharmaceuticals Inc. (US) 2025-04-30 EP disclosed
CN-119403782-A Modulators of G protein-coupled receptor 88 阿卡蒂亚药品公司 2025-02-07 CN disclosed
WO-2023250059-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. (US) 2023-12-28 WO disclosed