SCHEMBL8969694

SCHEMBL8969694

CNC(=O)Oc1c(Cl)cc2c(c1Cl)CN1CCCCCC1=N2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.46
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
BCHE P06276 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAOA P21397 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8969525 0.99 ACHE (0.45) ACHETSHRNPSR1HRH3BCHE
SCHEMBL8968367 0.84 ACHE (0.40) ACHE
SCHEMBL8968329 0.83 ACHE (0.39) ACHE
SCHEMBL8969302 0.82 ACHE (0.50) ACHEHRH3BCHEALDH1A1MAOA
SCHEMBL8969665 0.81 ACHE (0.48) ACHEHRH3BCHEALDH1A1MAOA
SCHEMBL8969163 0.80 ACHE (0.50) ACHEHRH3BCHEALDH1A1MAOA
SCHEMBL8968558 0.79 ACHE (0.48) ACHEHRH3BCHEALDH1A1MAOA
SCHEMBL8968362 0.76 ACHE (0.55) ACHEHRH3BCHEALDH1A1MEN1
SCHEMBL8968986 0.76 ACHE (0.58) ACHEHRH3BCHEALDH1A1MEN1
SCHEMBL8969609 0.75 ACHE (0.56) ACHEHRH3BCHEALDH1A1MEN1

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
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed