SCHEMBL8969123

SCHEMBL8969123

Cc1ccc2c(c1)N=C1CCCCN1C2

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.68
BCHE P06276 2/20 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
APP P05067 1/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35

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
SCHEMBL8969327 0.98 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969414 0.95 ACHE (0.62) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969426 0.88 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968424 0.87 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969953 0.83 ACHE (0.62) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969705 0.82 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968413 0.82 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968773 0.82 ACHE (0.97) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969616 0.81 ACHE (0.58) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969778 0.81 ACHE (0.63) 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