SCHEMBL8782383

SCHEMBL8782383

S=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ KMT2A Q03164 1/20 0.65

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
SCHEMBL8782381 0.92 — —
SCHEMBL8782059 0.89 BCL6 (0.60) —
SCHEMBL8782371 0.89 CHRM4 (0.64) ALDH1A1
SCHEMBL8783146 0.88 CHRM4 (0.64) —
SCHEMBL8782053 0.87 UBE2M (0.62) KMT2A
SCHEMBL8782456 0.86 ACHE (0.58) —
SCHEMBL9344014 0.85 ACHE (0.62) —
SCHEMBL8782423 0.85 ALDH1A1 (0.58) ALDH1A1
SCHEMBL8782388 0.85 ALDH1A1 (0.69) ALDH1A1
SCHEMBL8782166 0.85 THRB (0.63) —

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-0516520-B1 1,4-Disubstituted piperidines, their preparation and therapeutical application PF MEDICAMENT (FR) 1997-01-02 — — EP claimed
US-5364864-A Enzyme inhibitors PIERRE FABRE MEDICAMENT (FR) 1994-11-15 — — US claimed
US-5364864-A Enzyme inhibitors PIERRE FABRE MEDICAMENT (FR) 1994-11-15 — — US disclosed
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