SCHEMBL9865129

SCHEMBL9865129

O=C(NC(=NCCCc1c[nH]cn1)NCCOc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SCN5A Q14524 3/20 0.43
SCN2A Q99250 3/20 0.43
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
TSHR P16473 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
HRH2 P25021 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL9865905 0.98 NPC1 (0.46) NPC1RAB9AHPGDSMN1; SMN2SCN5A
SCHEMBL9865894 0.94 SCN5A (0.45) NPC1RAB9AHPGDSMN1; SMN2SCN5A
SCHEMBL9865887 0.94 SCN5A (0.45) NPC1RAB9AHPGDSMN1; SMN2SCN5A
SCHEMBL9865114 0.92 SCN5A (0.44) NPC1RAB9AHPGDSMN1; SMN2SCN5A
SCHEMBL9865122 0.92 SCN5A (0.44) NPC1RAB9AHPGDSMN1; SMN2SCN5A
SCHEMBL11080978 0.89 HRH2 (0.47) NPC1RAB9ASCN5ASCN2AHRH2
SCHEMBL9865196 0.88 HRH2 (0.41) SMN1; SMN2SCN5ASCN2AHRH2
SCHEMBL11080965 0.87 HRH2 (0.43) NPC1RAB9ASCN5ASCN2APOLB
SCHEMBL11080973 0.87 HRH2 (0.43) NPC1RAB9ASCN5ASCN2APOLB
SCHEMBL9866817 0.86 HRH2 (0.52) NPC1RAB9ASCN5ASCN2AHRH2

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