SCHEMBL14287014

SCHEMBL14287014

CCCCCC1CCN(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 3/20 0.44
HTR4 Q13639 6/20 0.38
ACHE P22303 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36

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
SCHEMBL14287049 1.00 SCNN1A (0.44) SCNN1AHTR4ACHEMEN1ALDH1A1
SCHEMBL14287041 0.99 SCNN1A (0.46) SCNN1AHTR4ACHEMEN1ALDH1A1
SCHEMBL14287039 0.99 SCNN1A (0.46) SCNN1AHTR4ACHEMEN1ALDH1A1
SCHEMBL14287042 0.98 SCNN1A (0.43) SCNN1AHTR4ACHEMEN1ALDH1A1
SCHEMBL14287016 0.95 SCNN1A (0.41) SCNN1AHTR4ACHEMEN1ALDH1A1
SCHEMBL14189597 0.92 CHRM1 (0.36) SCNN1AALDH1A1CYP2D6
SCHEMBL14189643 0.91 SCNN1A (0.37) SCNN1AALDH1A1CYP2D6
SCHEMBL14189633 0.91 CHRM1 (0.38) SCNN1A
SCHEMBL14189632 0.91 CHRM1 (0.38) SCNN1A
SCHEMBL14287045 0.91 SCNN1A (0.36) SCNN1AHTR4MEN1ALDH1A1CYP2D6

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-7317013-B2 Cyclic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-01-08 US disclosed