SCHEMBL3532232

SCHEMBL3532232

NC(=O)CN1CCCN(c2ncccc2CNc2nnnn2-c2ccc(F)c(Cl)c2Cl)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.61
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37

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
Acetic Acid SCHEMBL3294614 0.97 P2RX7 (0.58) P2RX7
SCHEMBL3531141 0.93 P2RX7 (0.52) P2RX7SCN2ASCN10A
SCHEMBL3537861 0.89 P2RX7 (0.76) P2RX7
SCHEMBL3528235 0.88 P2RX7 (0.49) P2RX7
SCHEMBL3288189 0.86 P2RX7 (0.47) P2RX7
SCHEMBL3535328 0.86 P2RX7 (0.47) P2RX7
SCHEMBL3530880 0.86 P2RX7 (0.47) P2RX7
SCHEMBL3532824 0.86 P2RX7 (0.47) P2RX7
SCHEMBL3529676 0.86 P2RX7 (0.47) P2RX7
SCHEMBL3534759 0.86 P2RX7 (0.71) P2RX7

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-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US claimed