SCHEMBL8968413

SCHEMBL8968413

Brc1ccc2c(c1)N=C1CCCCN1C2

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.68
BCHE P06276 1/20 0.56
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
KMT2A Q03164 1/20 0.55
HRH3 Q9Y5N1 1/20 0.43
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ASIC3 Q9UHC3 1/20 0.34
CCR3 P51677 1/20 0.33

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
SCHEMBL6921297 0.98 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968427 0.88 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969212 0.87 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969705 0.82 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968773 0.82 ACHE (0.97) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969123 0.82 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969327 0.81 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968393 0.81 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968453 0.81 ACHE (1.00) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL9380915 0.78 ACHE (0.71) ACHEBCHEALDH1A1MEN1USP2

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