SCHEMBL8969699

SCHEMBL8969699

CSc1cccc2c1N=C1CCCCN1C2

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.63
BCHE P06276 1/20 0.49
KMT2A Q03164 2/20 0.48
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
HRH3 Q9Y5N1 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HTT P42858 1/20 0.32
EED O75530 1/20 0.31

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
SCHEMBL8969569 0.99 ACHE (0.65) ACHEBCHEKMT2AMEN1USP2
SCHEMBL8968530 0.81 ACHE (0.68) ACHEBCHEKMT2AMEN1USP2
SCHEMBL8969359 0.80 ACHE (0.70) ACHEBCHEKMT2AMEN1USP2
SCHEMBL8968761 0.78 ACHE (0.68) ACHEBCHEKMT2AMEN1USP2
SCHEMBL8968909 0.78 ACHE (0.97) ACHEBCHEKMT2AMEN1USP2
SCHEMBL8968461 0.78 ACHE (0.68) ACHEBCHEKMT2AMEN1USP2
SCHEMBL8969841 0.78 ACHE (0.63) ACHEBCHEKMT2AMEN1USP2
SCHEMBL8968561 0.78 ACHE (0.63) ACHEBCHEKMT2AMEN1USP2
SCHEMBL8968420 0.77 ACHE (0.70) ACHEBCHEKMT2AMEN1USP2
SCHEMBL8969094 0.77 ACHE (1.00) ACHEBCHEKMT2AMEN1USP2

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