SCHEMBL8969674

SCHEMBL8969674

CC1(C)CC2=Nc3cc(Cl)ccc3CN2CC(C)(C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
CTSD P07339 6/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
HRH4 Q9H3N8 3/20 0.32
HTR3E A5X5Y0 1/20 0.32
MEN1 O00255 1/20 0.32
CACNA1F O60840 1/20 0.32
HTR3B O95264 1/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
ADRB2 P07550 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL8969387 0.81 ACHE (0.62) ACHECTSDPDE3BPDE3ADRD2
SCHEMBL8968694 0.81 ACHE (0.62) ACHECTSDPDE3BPDE3ADRD2
SCHEMBL8969316 0.80 ACHE (0.32) ACHE
SCHEMBL8968433 0.74 ACHE (0.50) ACHECTSDPDE3BPDE3AMEN1
SCHEMBL8969190 0.69 ACHE (0.89) ACHECTSDDRD2DRD4DRD3
SCHEMBL8968349 0.68 ACHE (0.53) ACHECTSDPDE3BPDE3ADRD2
SCHEMBL8968773 0.68 ACHE (0.97) ACHECTSDDRD2DRD4DRD3
SCHEMBL8969789 0.68 ACHE (0.46) ACHECTSDPDE3BPDE3ADRD2
SCHEMBL8968453 0.67 ACHE (1.00) ACHEDRD2DRD4DRD3MEN1
SCHEMBL8969066 0.65 ACHE (0.67) ACHECTSDPDE3BPDE3ADRD2

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