SCHEMBL8968420

SCHEMBL8968420

Brc1cccc2c1N=C1CCCCCN1C2

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.70
BCHE P06276 1/20 0.51
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
KMT2A Q03164 1/20 0.50
HRH3 Q9Y5N1 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
CCR3 P51677 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
SCHEMBL8968761 0.98 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968536 0.82 ACHE (0.58) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969094 0.82 ACHE (1.00) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969359 0.82 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968954 0.82 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968909 0.81 ACHE (0.97) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969027 0.81 ACHE (0.56) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968530 0.81 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968461 0.81 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8970148 0.79 ACHE (0.51) ACHEBCHEMEN1USP2ALDH1A1

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