SCHEMBL8969005

SCHEMBL8969005

Brc1cc(Br)c2c(c1)N=C1CCCCCN1C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.51
BCHE P06276 1/20 0.41
LMNA P02545 2/20 0.40
USP2 O75604 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
PRNP P04156 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
INMT O95050 1/20 0.34

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
SCHEMBL8970461 0.94 ACHE (0.46) ACHEBCHELMNAUSP2MEN1
SCHEMBL8969128 0.86 ACHE (0.59) ACHEBCHELMNAUSP2MEN1
SCHEMBL8968601 0.86 ACHE (0.49) ACHEBCHELMNAUSP2MEN1
SCHEMBL8968967 0.86 ACHE (0.49) ACHEBCHELMNAUSP2MEN1
SCHEMBL8969451 0.86 ACHE (0.49) ACHEBCHELMNAUSP2MEN1
SCHEMBL8968320 0.86 ACHE (0.63) ACHEBCHELMNAUSP2MEN1
SCHEMBL8968359 0.86 ACHE (0.49) ACHEBCHELMNAUSP2MEN1
SCHEMBL8968408 0.84 ACHE (0.47) ACHEBCHELMNAUSP2MEN1
SCHEMBL8970122 0.84 ACHE (0.60) ACHEBCHELMNAUSP2MEN1
SCHEMBL8969205 0.84 ACHE (0.47) ACHEBCHELMNAUSP2MEN1

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