SCHEMBL8969094

SCHEMBL8969094

Clc1cccc2c1N=C1CCCCCN1C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 1.00
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
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.38
CCR3 P51677 1/20 0.38

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
SCHEMBL8968909 0.98 ACHE (0.97) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969851 0.94 ACHE (0.89) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968800 0.82 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968420 0.82 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969359 0.82 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968954 0.82 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968364 0.81 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968530 0.81 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968761 0.81 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968461 0.81 ACHE (0.68) 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