SCHEMBL9866282

SCHEMBL9866282

NC(=NCCSC(c1ccccc1)c1ccccn1)NCCCc1c[nH]cn1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
NPY1R P25929 1/20 0.42

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
SCHEMBL9829145 0.88 EBP (0.41) EBPSIGMAR1NPY1R
SCHEMBL9771039 0.87 EBP (0.55) EBPSIGMAR1
SCHEMBL9827666 0.86 NPY1R (0.49) NPY1R
SCHEMBL9827444 0.85 NPY1R (0.51) NPY1R
SCHEMBL9865440 0.84 EBP (0.48) EBPSIGMAR1
SCHEMBL9866987 0.84 EBP (0.36) EBPSIGMAR1
SCHEMBL9865429 0.83 EBP (0.32) EBPSIGMAR1
SCHEMBL7283799 0.82 NPY1R (0.46) NPY1R
SCHEMBL7297945 0.82 NPY1R (0.44) NPY1R
SCHEMBL7295462 0.81 NPY1R (0.47) NPY1R

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-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