SCHEMBL9844719

SCHEMBL9844719

COc1ccc2cc3n(c2c1)C/C(=C/C1CCN(Cc2ccccc2)CC1)C3=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.63
BACE1 P56817 2/20 0.63
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
PAX8 Q06710 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9844721 1.00 ACHE (0.63) ACHEBACE1DRD2HTR2AHTR2C
SCHEMBL9259751 0.93 ACHE (0.63) ACHEBACE1DRD2HTR2AHTR2C
SCHEMBL9259753 0.93 ACHE (0.63) ACHEBACE1DRD2HTR2AHTR2C
SCHEMBL9258128 0.88 ACHE (0.61) ACHEBACE1
SCHEMBL9258134 0.88 ACHE (0.61) ACHEBACE1
SCHEMBL9263845 0.87 ACHE (0.48) ACHEBACE1
SCHEMBL9263840 0.87 ACHE (0.48) ACHEBACE1
SCHEMBL4508006 0.86 ACHE (0.52) ACHEBACE1ALDH1A1SMN1; SMN2
SCHEMBL4508009 0.86 ACHE (0.52) ACHEBACE1ALDH1A1SMN1; SMN2
SCHEMBL9252315 0.85 ACHE (0.48) ACHEBACE1DRD2HTR2AHTR2C

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
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP claimed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP disclosed