SCHEMBL8969705

SCHEMBL8969705

Fc1ccc2c(c1)N=C1CCCCN1C2

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 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
MAPK1 P28482 1/20 0.39
CCR3 P51677 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8968393 0.98 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968485 0.88 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL12059629 0.88 ACHE (0.64) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969488 0.87 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL6922811 0.84 ACHE (0.60) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968413 0.82 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968773 0.82 ACHE (0.97) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969123 0.82 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969431 0.81 ACHE (0.63) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL6921297 0.81 ACHE (0.70) 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