SCHEMBL21412656

SCHEMBL21412656

Nc1ccc(CNCCN2CCCC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.56
▸ KMT2A Q03164 1/20 0.48
▸ SIGMAR1 Q99720 3/20 0.44
▸ MAP4K4 O95819 2/20 0.44
▸ CYP2D6 P10635 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ATR Q13535 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ KIT P10721 1/20 0.41
▸ APP P05067 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL6766654 0.92 DPP7 (0.47) DPP7KMT2ACYP2D6CYP3A4HRH3
SCHEMBL28815718 0.89 DPP7 (0.43) DPP7KMT2ACYP2D6CYP3A4
Trifluoroacetic Acid SCHEMBL21412700 0.88 KMT2A (0.50) DPP7KMT2ASIGMAR1MAP4K4ATR
SCHEMBL3165932 0.81 DPP7 (0.82) DPP7KMT2ASIGMAR1CYP2D6CYP3A4
SCHEMBL2231823 0.80 CYP3A4 (0.43) KMT2ACYP2D6CYP3A4
SCHEMBL3577555 0.80 DPP7 (0.70) DPP7KMT2ASIGMAR1MAP4K4CYP2D6
SCHEMBL28481490 0.79 KMT2A (0.52) DPP7KMT2ASIGMAR1MAP4K4CYP2D6
SCHEMBL3171554 0.79 DPP7 (0.79) DPP7KMT2ASIGMAR1CYP2D6CYP3A4
SCHEMBL21412626 0.76 KMT2A (0.54) DPP7KMT2ASIGMAR1ATR
SCHEMBL1035345 0.76 ALDH1A1 (0.56) CYP2D6HRH3

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
EP-3774734-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE Elex Biotech, Inc. (US) 2021-02-17 — — EP disclosed
WO-2019191502-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE ELEX BIOTECH, INC. (US) 2019-10-03 — — WO disclosed
Send feedback