SCHEMBL9865429

SCHEMBL9865429

N=C(NCCCc1c[nH]cn1)NCCSC(c1ccccc1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL9771015 0.87 SCN8A (0.31)
SCHEMBL9771031 0.86 DRD2 (0.36) EBPSIGMAR1DRD2DRD4DRD3
SCHEMBL9771089 0.85 DRD2 (0.47) DRD2DRD4DRD3SLC6A3
SCHEMBL9827663 0.85 ALDH1A1 (0.40)
SCHEMBL9827438 0.85 ALDH1A1 (0.40)
Maleic Acid SCHEMBL9771150 0.85 TAAR1 (0.37) EBPSIGMAR1DRD2DRD4DRD3
SCHEMBL9866282 0.83 EBP (0.52) EBPSIGMAR1
SCHEMBL9865431 0.83 EPHX2 (0.33)
SCHEMBL9865982 0.79 NPC1 (0.44)
SCHEMBL10874397 0.79 CHRM2 (0.33)

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 claimed