SCHEMBL9259753

SCHEMBL9259753

COc1ccc2c(c1)cc1n2CC(=CC2CCN(Cc3ccccc3)CC2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.63
BACE1 P56817 2/20 0.63
ALDH1A1 P00352 1/20 0.48
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
KMT2A Q03164 1/20 0.47

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
SCHEMBL9259751 1.00 ACHE (0.63) ACHEBACE1ALDH1A1DRD2HTR2A
SCHEMBL9844719 0.93 ACHE (0.63) ACHEBACE1ALDH1A1DRD2HTR2A
SCHEMBL9844721 0.93 ACHE (0.63) ACHEBACE1ALDH1A1DRD2HTR2A
SCHEMBL9259916 0.91 ACHE (0.52) ACHEBACE1
SCHEMBL9259922 0.91 ACHE (0.52) ACHEBACE1
SCHEMBL9844717 0.90 ACHE (0.50) ACHEBACE1
SCHEMBL9844714 0.90 ACHE (0.50) ACHEBACE1
SCHEMBL9258134 0.88 ACHE (0.61) ACHEBACE1
SCHEMBL9258128 0.88 ACHE (0.61) ACHEBACE1
SCHEMBL9260220 0.87 ACHE (0.48) ACHEBACE1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US claimed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP claimed
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US disclosed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP disclosed