SCHEMBL9259449

SCHEMBL9259449

CCCCCCCCCCCCc1ccc2nc3c(c(NCc4ccccc4)c2c1)CCCC3

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 18/20 0.69
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
BCHE P06276 10/20 0.59
BACE1 P56817 1/20 0.58

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
SCHEMBL9255955 1.00 ACHE (0.69) ACHEKDM4EMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL9261956 0.99 ACHE (0.68) ACHEKDM4EMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL9261293 0.99 ACHE (0.68) ACHEKDM4EMEN1HTTKMT2A
SCHEMBL9257120 0.92 ACHE (0.60) ACHEBCHEBACE1
SCHEMBL9260330 0.88 ACHE (0.74) ACHEBCHE
SCHEMBL9261176 0.86 ACHE (0.65) ACHEKMT2ABCHE
SCHEMBL9252949 0.86 ACHE (0.65) ACHEKMT2ABCHE
SCHEMBL9256698 0.86 ACHE (0.65) ACHEKMT2ABCHE
SCHEMBL10699056 0.85 ACHE (0.60) ACHEBCHE
SCHEMBL9249591 0.80 ACHE (0.75) ACHEKDM4EMEN1HTTKMT2A

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-5391553-A Increasing cholinergic functionin mammals HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-02-21 US claimed
US-5391553-A Increasing cholinergic functionin mammals HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-02-21 US disclosed