SCHEMBL8968566

SCHEMBL8968566

CNC(=O)Oc1cc(Cl)c2c(c1)N=C1C3CC4CC(C3)CC(C4)N1C2

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
STAT3 P40763 1/20 0.30
STAT1 P42224 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL8968531 0.88 ACHE (0.33) ACHE
SCHEMBL8969231 0.80 MAOA (0.35) ACHE
SCHEMBL8969986 0.80 MAOA (0.35) ACHEKDM4ENPC1ALDH1A1RAB9A
SCHEMBL8969440 0.80 ACHE (0.38) ACHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL8969032 0.79 ACHE (0.31) ACHEKDM4ENPC1ALDH1A1RAB9A
SCHEMBL8968564 0.78 CTSD (0.30)
Hydrochloric Acid SCHEMBL9382023 0.77
SCHEMBL8968377 0.75
SCHEMBL8968459 0.75
SCHEMBL9381793 0.72 ACHE (0.40) ACHEKDM4ENPC1ALDH1A1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed