SCHEMBL8968388

SCHEMBL8968388

Cc1cc2c(cc1C)N=C1CCCCCN1C2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.61
BCHE P06276 1/20 0.50
USP2 O75604 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 1/20 0.46
INMT O95050 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8969616 0.98 ACHE (0.58) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969993 0.88 ACHE (0.63) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8970057 0.87 ACHE (0.60) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968424 0.82 ACHE (0.70) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969327 0.82 ACHE (0.70) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969028 0.81 ACHE (0.69) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969158 0.81 ACHE (0.57) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969123 0.80 ACHE (0.68) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969426 0.80 ACHE (0.68) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968543 0.79 ACHE (0.67) ACHEBCHEUSP2MEN1ALDH1A1

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