SCHEMBL8969574

SCHEMBL8969574

COc1cccc2c1CN1CCCCC1=N2

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.63
BCHE P06276 1/20 0.49
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL9385652 0.82 ACHE (0.61) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968183 0.81 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL31197078 0.81 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8970192 0.80 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968520 0.78 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969241 0.78 ACHE (0.97) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968767 0.78 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968561 0.78 ACHE (0.63) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969841 0.78 ACHE (0.63) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968436 0.77 ACHE (0.70) 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 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