SCHEMBL9865299

SCHEMBL9865299

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

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
EPHX2 P34913 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
SCHEMBL9866163 0.96 RAB9A (0.37) RAB9AEPHX2
SCHEMBL9865744 0.94 PMP22 (0.40)
SCHEMBL9865426 0.94 NAMPT (0.38)
SCHEMBL9865155 0.94 BLM (0.40)
SCHEMBL9866078 0.94 EPHX2 (0.39) EPHX2
SCHEMBL9865305 0.93 NPY1R (0.41)
SCHEMBL7431291 0.93 EPHX2 (0.41) RAB9AEPHX2
SCHEMBL7431296 0.93 EPHX2 (0.41) RAB9AEPHX2
SCHEMBL7286314 0.92
SCHEMBL7311686 0.92 NPY1R (0.39)

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 3 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
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed