SCHEMBL9256698

SCHEMBL9256698

CCCCCCCCCCCCCCCCCCc1ccc2nc3c(c(Nc4ccccc4)c2c1)CCCC3

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 18/20 0.65
KMT2A Q03164 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
BCHE P06276 9/20 0.54

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
SCHEMBL9261176 1.00 ACHE (0.65) ACHEKMT2ANPSR1BCHE
SCHEMBL9252949 1.00 ACHE (0.65) ACHEKMT2ANPSR1BCHE
SCHEMBL9257375 0.91 TP53 (0.56) ACHEKMT2ANPSR1BCHE
SCHEMBL10699056 0.86 ACHE (0.60) ACHEBCHE
SCHEMBL9259449 0.86 ACHE (0.69) ACHEKMT2ABCHE
SCHEMBL9255955 0.86 ACHE (0.69) ACHEKMT2ABCHE
Hydrochloric Acid SCHEMBL9261293 0.85 ACHE (0.68) ACHEKMT2ABCHE
Hydrochloric Acid SCHEMBL9261956 0.85 ACHE (0.68) ACHEKMT2ABCHE
SCHEMBL9260330 0.84 ACHE (0.74) ACHEBCHE
SCHEMBL9257120 0.80 ACHE (0.60) ACHEBCHE

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