SCHEMBL9866537

SCHEMBL9866537

O=C(NC(=NCCSCc1cccc(C(F)(F)F)c1)NCCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
FAAH O00519 1/20 0.37
POLB P06746 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 3/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
MAPK14 Q16539 1/20 0.35
HRH2 P25021 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
CETP P11597 1/20 0.35
GPR52 Q9Y2T5 2/20 0.35

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
SCHEMBL9866527 1.00 SCN5A (0.39) SCN5ASCN2ATRPV1NPSR1KDM4E
SCHEMBL9866540 0.94 TRPV1 (0.41) SCN5ASCN2ATRPV1NPSR1KDM4E
SCHEMBL9867640 0.90 SCN5A (0.45) SCN5ASCN2AKDM4EMAPTHPGD
SCHEMBL9867644 0.90 SCN5A (0.45) SCN5ASCN2AKDM4EMAPTHPGD
SCHEMBL9865157 0.89 ALDH1A1 (0.44) SCN5ASCN2AGAAMAPTHPGD
SCHEMBL9865153 0.89 ALDH1A1 (0.44) SCN5ASCN2AGAAMAPTHPGD
SCHEMBL9866134 0.86 SCN5A (0.37) SCN5ASCN2AKDM4EMAPTHRH2
SCHEMBL9866141 0.86 SCN5A (0.37) SCN5ASCN2AKDM4EMAPTHRH2
SCHEMBL9867007 0.85 SCN5A (0.40) SCN5ASCN2AKDM4EHRH2LMNA
SCHEMBL7433578 0.84 EPHX2 (0.43) SCN5ASCN2AHPGDHRH2LMNA

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-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed