SCHEMBL31355010

SCHEMBL31355010

C[C@H](N)c1ccc(OCC23CCC(CC2)CC3)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.34
CYP4A11 Q02928 5/20 0.34
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL2939725 0.80 ACACB (0.38)
Hydrochloric Acid SCHEMBL2134343 0.79 ACACB (0.38)
SCHEMBL30703576 0.78 HPGD (0.42)
SCHEMBL9987918 0.76 ACACB (0.45)
SCHEMBL2945130 0.76 ACACB (0.45)
SCHEMBL30703554 0.76 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3
Hydrochloric Acid SCHEMBL2139079 0.74 ACACB (0.44)
SCHEMBL31355027 0.73 CYP4A11 (0.41) CYP4F2CYP4A11
SCHEMBL30703563 0.72
SCHEMBL21921012 0.72 ACACB (0.40) CYP4F2CYP4A11

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
CN-119403782-A Modulators of G protein-coupled receptor 88 阿卡蒂亚药品公司 2025-02-07 CN disclosed