SCHEMBL8969199

SCHEMBL8969199

Clc1cc(Cl)c2c(c1)N=C1CC(c3ccccc3)CN1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.37
MAPT P10636 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8969211 0.74 ACHE (0.49) MEN1KMT2AACHEADRA1DADRA1A
SCHEMBL8969632 0.70 ACHE (0.40) CYP2C9MEN1KMT2AACHELMNA
SCHEMBL8969711 0.68 ACHE (0.43) CYP2C9MEN1KMT2AACHELMNA
SCHEMBL8968233 0.67 ACHE (0.57) NPC1RAB9AMEN1KMT2AACHE
Hydrochloric Acid SCHEMBL8969536 0.66 ACHE (0.56) MEN1KMT2AACHELMNA
SCHEMBL4448665 0.65 ACHE (0.66) NPC1RAB9AMEN1KMT2AACHE
SCHEMBL8969872 0.65
SCHEMBL8968631 0.64 ACHE (0.38) MAPTNPC1RAB9ACYP1A2MEN1
SCHEMBL8969433 0.64 ACHE (0.38) ACHE
Hydrochloric Acid SCHEMBL8968390 0.64 ACHE (0.64) NPC1RAB9AMEN1KMT2AACHE

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