SCHEMBL9875328

SCHEMBL9875328

CN(CC(F)F)CC1CCCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GHSR Q92847 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MLNR O43193 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CHRM1 P11229 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
SCHEMBL12339291 0.84 SLC6A2 (0.41) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL9874402 0.81 FDPS (0.39) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL12339290 0.79 GHSR (0.36) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL4158323 0.78 CYP2D6 (0.40) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL9121250 0.78 CYP2D6 (0.40) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL9874771 0.77 CYP2D6 (0.37) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL17484303 0.77 FDPS (0.42) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL9873720 0.76 FDPS (0.39) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL9122889 0.75 CYP2D6 (0.44) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL1233909 0.75 CYP2D6 (0.44) CYP2D6MEN1LMNATP53KMT2A

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
WO-1991017981-A1 AZACYCLIC DERIVATIVES DR. LO. ZAMBELETTI S.P.A. (IT) 1991-11-28 — — WO disclosed
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