SCHEMBL11577003

SCHEMBL11577003

c1ccc(CCCNC2CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.69
BACE1 P56817 11/20 0.69
ACHE P22303 10/20 0.69
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
GRIN1 Q05586 1/20 0.55
GRIN2B Q13224 1/20 0.55
SIGMAR1 Q99720 1/20 0.55

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
SCHEMBL7807284 0.91 BCHE (0.73) BCHEBACE1ACHE
SCHEMBL7693701 0.91 ACHE (0.68) BCHEBACE1ACHESLC6A2SLC6A4
SCHEMBL4830468 0.87 BCHE (0.68) BCHEBACE1ACHE
SCHEMBL4830474 0.87 BCHE (0.68) BCHEBACE1ACHE
SCHEMBL9634965 0.86 BCHE (0.66) BCHEBACE1ACHE
SCHEMBL5275183 0.85 SLC6A2 (0.69) ACHESLC6A2SLC6A4SLC6A3GRIN1
SCHEMBL12302951 0.84 BCHE (0.71) BCHEBACE1ACHE
SCHEMBL31075774 0.84 BCHE (0.63) BCHEBACE1ACHE
SCHEMBL6662331 0.83 BCHE (0.62) BCHEBACE1ACHESIGMAR1
SCHEMBL10059136 0.83 BCHE (0.61) BCHEBACE1ACHESLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29828-E ANALGESICS, ANTIDEPRESSANTS A. H. ROBINS COMPANY, INC. (US) 1978-11-07 US disclosed