SCHEMBL9866679

SCHEMBL9866679

N=C(NCCCc1c[nH]cn1)NCC(O)COc1cccc(CN2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
HRH2 P25021 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
LMNA P02545 1/20 0.41

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
SCHEMBL9867792 0.89 HRH2 (0.53) HRH2HRH3
SCHEMBL9867200 0.86 HRH2 (0.53) HRH2HRH3
SCHEMBL9866703 0.84 PRMT5 (0.44) PRMT5WDR77HRH2HRH3
SCHEMBL9866059 0.81 ADRB1 (0.41) LMNA
SCHEMBL9866314 0.79 KDM4E (0.43) PRMT5WDR77
SCHEMBL9866310 0.79 ABCB1 (0.42) PRMT5WDR77HRH2HRH3LMNA
SCHEMBL10371356 0.79 ABCB1 (0.42) PRMT5WDR77HRH2HRH3LMNA
SCHEMBL9867806 0.77 HRH2 (0.49) HRH2HRH3
SCHEMBL9866682 0.74 ADRB2 (0.47) LMNA
SCHEMBL10372620 0.73

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