SCHEMBL31395314

SCHEMBL31395314

CCCC(C)COc1ccc(C)nc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40

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
SCHEMBL16139752 0.86 CHRNB2 (0.43) MAPTKMT2ACHRNB2CHRNA4
SCHEMBL2608829 0.80 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL30697634 0.80 GPR88 (0.39) —
SCHEMBL30697590 0.80 GPR88 (0.39) —
SCHEMBL31395596 0.77 GPR88 (0.43) —
SCHEMBL9440331 0.76 MAPT (0.45) MAPTKMT2ACHRNB2CHRNA4
SCHEMBL24548226 0.76 MAPT (0.41) MAPT
SCHEMBL29319256 0.76 KMT2A (0.43) MAPTKMT2ACHRNB2CHRNA4
SCHEMBL6935832 0.75 CYP2C9 (0.49) MAPT
SCHEMBL31395578 0.75 MAPK1 (0.48) —

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-119546577-A Modulators of G protein-coupled receptor 88 阿卡蒂亚药品公司 2025-02-28 — — CN disclosed
Send feedback