SCHEMBL8969818

SCHEMBL8969818

COc1cc2c(c(OC)c1)CN1C(=N2)C2CCC1C2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.33
DRD1 P21728 4/20 0.33
HTR1A P08908 2/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PARP1 P09874 1/20 0.30
ABCB1 P08183 1/20 0.30
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL8969528 0.80 PARP1 (0.35) PDE10ADRD1HTR1APARP1
SCHEMBL8969633 0.78 CTSD (0.41) ABCB1
SCHEMBL8969270 0.74
SCHEMBL8969218 0.73 OPRM1 (0.31)
SCHEMBL8969131 0.72 HRH3 (0.31) HRH3
SCHEMBL8968884 0.71
SCHEMBL8969444 0.70
SCHEMBL8968743 0.70
SCHEMBL8969069 0.69
SCHEMBL8969369 0.69

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