SCHEMBL9866078

SCHEMBL9866078

O=C(NC(=NCCCc1c[nH]cn1)NCCCC(c1ccccc1)c1ccccn1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39

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
SCHEMBL9866163 0.97 RAB9A (0.37) EPHX2
SCHEMBL9865305 0.96 NPY1R (0.41)
SCHEMBL9867594 0.94 NPY1R (0.40)
SCHEMBL9865299 0.94 RAB9A (0.38) EPHX2
SCHEMBL9866144 0.93 EPHX2 (0.43) EPHX2
SCHEMBL9867599 0.91 NPY1R (0.39)
SCHEMBL9865432 0.90 NPY1R (0.44)
SCHEMBL9867526 0.90
SCHEMBL7297991 0.90 NPY1R (0.39)
SCHEMBL9865695 0.90 PMP22 (0.40)

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 4 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 claimed
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
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed