SCHEMBL9253566

SCHEMBL9253566

CC(C)(C)c1ccc2nc3c(c(NCc4ccc(Cl)cc4)c2c1)CCCC3

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.64
CYP1A2 P05177 2/20 0.55
TSHR P16473 1/20 0.55
BCHE P06276 5/20 0.55
CYP3A4 P08684 1/20 0.55
BACE1 P56817 1/20 0.55
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL9249591 0.91 ACHE (0.75) ACHECYP1A2BCHECYP3A4BACE1
SCHEMBL10696834 0.89 ACHE (0.62) ACHECYP1A2BCHECYP3A4BACE1
SCHEMBL10696947 0.86 ACHE (0.61) ACHECYP1A2TSHRBCHEMEN1
SCHEMBL9257216 0.83 ACHE (0.76) ACHECYP1A2BCHECYP3A4BACE1
SCHEMBL9258030 0.81 ACHE (0.68) ACHECYP1A2TSHRBCHE
SCHEMBL9259460 0.80 ACHE (0.71) ACHEBCHE
SCHEMBL9252701 0.78 MAPT (0.63) ACHETSHRBCHE
SCHEMBL9259739 0.77 ACHE (0.72) ACHEMEN1HTTKMT2A
SCHEMBL9250740 0.76 ACHE (0.53) ACHEBCHEHTT
SCHEMBL9256916 0.76 ACHE (0.75) 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 1 patent. 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 disclosed