SCHEMBL8520997

SCHEMBL8520997

C=CCc1cc(CCN)ccc1C#CC1C(O)C2CCN1CC2

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.39
NUDT1 P36639 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL8423271 0.85 FDFT1 (0.38) FDFT1
SCHEMBL8422019 0.85 FDFT1 (0.36) FDFT1
Hydrochloric Acid SCHEMBL8417982 0.85 FDFT1 (0.41) FDFT1
SCHEMBL8417676 0.82 FDFT1 (0.44) FDFT1
SCHEMBL8417632 0.82 FDFT1 (0.60) FDFT1
SCHEMBL8419863 0.81 FDFT1 (0.34) FDFT1
SCHEMBL8920428 0.81 ALDH1A1 (0.36) FDFT1
SCHEMBL8421697 0.81 FDFT1 (0.43) FDFT1
SCHEMBL8419673 0.81 FDFT1 (0.41) FDFT1
SCHEMBL8420485 0.81 FDFT1 (0.36) FDFT1

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
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed