SCHEMBL9865147

SCHEMBL9865147

N=C(NCCCc1c[nH]cn1)NCCSc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HPGD P15428 3/20 0.40
RAB9A P51151 7/20 0.40
NPC1 O15118 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH4 Q9H3N8 4/20 0.39
USP2 O75604 1/20 0.39
HRH2 P25021 3/20 0.39
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL9867497 0.95 KMT2A (0.38) MTNR1AMTNR1BHPGDRAB9ANPC1
SCHEMBL9866021 0.88 TEAD1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL9877140 0.88 ALDH1A1 (0.40) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9865982 0.86 NPC1 (0.44) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9866274 0.84 TEAD1 (0.38) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL9867195 0.84 HPGD (0.39) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL9867117 0.84 L3MBTL1 (0.43) HPGDRAB9ANPC1KMT2A
SCHEMBL9867346 0.83 HRH3 (0.45) MTNR1AMTNR1BHPGDRAB9ANPC1
SCHEMBL9865953 0.82 HRH3 (0.44) MTNR1AMTNR1BHPGDRAB9ANPC1
SCHEMBL9866251 0.81 SIGMAR1 (0.42) HPGDRAB9ANPC1KMT2AHRH4

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