SCHEMBL8969190

SCHEMBL8969190

Clc1ccc2c(c1)N=C1CCCN1C2

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.89
BCHE P06276 1/20 0.62
MEN1 O00255 1/20 0.60
USP2 O75604 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
CYP3A4 P08684 1/20 0.60
KMT2A Q03164 1/20 0.60
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
CTSD P07339 2/20 0.41

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
SCHEMBL8968773 0.95 ACHE (0.97) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968453 0.94 ACHE (1.00) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8970452 0.88 ACHE (0.89) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969321 0.83 ACHE (0.97) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969066 0.82 ACHE (0.67) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968422 0.82 ACHE (1.00) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969414 0.81 ACHE (0.62) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969529 0.81 ACHE (0.60) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968694 0.79 ACHE (0.62) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969387 0.79 ACHE (0.62) 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