SCHEMBL8968360

SCHEMBL8968360

CNC(=O)Oc1ccc2nc3n(c(=N)c2c1Cl)C1CC2CC(CC3C2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.37
ACHE P22303 2/20 0.37
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PGR P06401 1/20 0.30
GAA P10253 1/20 0.30
PTGS1 P23219 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8969750 0.81 MAOA (0.37) MAOAACHESMN1; SMN2
SCHEMBL8969680 0.80 ALDH1A1 (0.33) ACHEALDH1A1KDM4ENPC1RAB9A
SCHEMBL8968480 0.79 ALDH1A1 (0.41) MAOAACHEALDH1A1KDM4ENPC1
SCHEMBL8968293 0.78
SCHEMBL8969448 0.73 ACHE (0.37) MAOAACHEALDH1A1KDM4ENPC1
SCHEMBL8970053 0.71 ACHE (0.38) ACHENPC1
SCHEMBL8969422 0.70 HRH4 (0.34) ACHE
SCHEMBL8969986 0.68 MAOA (0.35) MAOAACHEALDH1A1KDM4ENPC1
SCHEMBL8968897 0.67 BCHE (0.31) ACHE
SCHEMBL8969797 0.67 LRRK2 (0.39) ACHEALDH1A1KDM4ENPC1RAB9A

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