SCHEMBL9866068

SCHEMBL9866068

NC(=NCCCc1c[nH]cn1)NCC(O)COc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.39
ADRB3 P13945 4/20 0.39
ADRB2 P07550 3/20 0.39
CYP2D6 P10635 2/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
HRH2 P25021 1/20 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
SCHEMBL9866703 0.82 PRMT5 (0.44) HRH2
SCHEMBL9865552 0.82 ADRB1 (0.40) ADRB1ADRB3ADRB2CYP2D6MAPT
SCHEMBL9865576 0.82 ADRB1 (0.40) ADRB1ADRB3ADRB2CYP2D6MAPT
SCHEMBL9867357 0.81 SCN5A (0.43)
SCHEMBL9866059 0.79 ADRB1 (0.41) ADRB1ADRB3ADRB2CYP2D6MAPT
SCHEMBL9865960 0.79 SCN5A (0.42)
SCHEMBL7433411 0.77
SCHEMBL7430491 0.76 EBP (0.40)
SCHEMBL9867126 0.76 HRH4 (0.47) HRH2
SCHEMBL9865115 0.74 HRH4 (0.39) HTTSMN1; SMN2LMNA

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