SCHEMBL9867346

SCHEMBL9867346

N=C(NCCCOc1ccccc1)NCCCc1c[nH]cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RECQL P46063 1/20 0.43
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 4/20 0.43
HTR1B P28222 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HTR1D P28221 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL9865953 0.99 HRH3 (0.44) HRH3L3MBTL1RECQLDRD2DRD4
SCHEMBL9867117 0.86 L3MBTL1 (0.43) L3MBTL1HPGDKMT2ANPC1RAB9A
SCHEMBL9866059 0.85 ADRB1 (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL11660028 0.85 HRH3 (0.39) HRH3L3MBTL1RECQLDRD2DRD4
SCHEMBL9866870 0.84 MTNR1A (0.44) HRH3L3MBTL1DRD3MEN1KMT2A
SCHEMBL9866251 0.84 SIGMAR1 (0.42) L3MBTL1HPGDKMT2ANPC1RAB9A
SCHEMBL9865107 0.83 SMN1; SMN2 (0.40) HRH3L3MBTL1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL9771022 0.83 SIGMAR1 (0.43) HRH3SMN1; SMN2RAB9A
SCHEMBL9867497 0.83 KMT2A (0.38) RECQLDRD2DRD4DRD3HPGD
SCHEMBL9865147 0.83 MTNR1A (0.41) HRH3RECQLHPGDMEN1KMT2A

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