SCHEMBL9865196

SCHEMBL9865196

O=C(NC(=NCCCc1c[nH]cn1)NCCOCc1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SCN5A Q14524 4/20 0.37
SCN2A Q99250 4/20 0.37
ACHE P22303 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL9865178 0.93 HRH2 (0.41) HRH2SMN1; SMN2SCN5ASCN2AACHE
SCHEMBL9865187 0.93 HRH2 (0.41) HRH2SMN1; SMN2SCN5ASCN2AACHE
SCHEMBL9865129 0.88 NPC1 (0.48) HRH2SMN1; SMN2SCN5ASCN2A
SCHEMBL9866822 0.88 HRH2 (0.52) HRH2SCN5ASCN2AHRH4ALDH1A1
SCHEMBL9867162 0.88 HRH2 (0.52) HRH2SCN5ASCN2AHRH4ALDH1A1
SCHEMBL9866817 0.88 HRH2 (0.52) HRH2SCN5ASCN2AHRH4ALDH1A1
SCHEMBL9865348 0.87 HRH2 (0.53) HRH2SCN5ASCN2AHRH4
SCHEMBL11080978 0.86 HRH2 (0.47) HRH2SCN5ASCN2AHRH4
SCHEMBL9865905 0.86 NPC1 (0.46) HRH2SMN1; SMN2SCN5ASCN2A
SCHEMBL9865344 0.85 HRH2 (0.49) HRH2SCN5ASCN2AHRH4

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-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed