SCHEMBL9866098

SCHEMBL9866098

Cc1[nH]cnc1CSCCCNC(=NCCCc1c[nH]cn1)NC#N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.60
MEN1 O00255 1/20 0.60
SLC22A2 O15244 1/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
GLA P06280 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
ATP4A P20648 1/20 0.60
APEX1 P27695 1/20 0.60
PDE4A P27815 1/20 0.60
CYP2C19 P33261 1/20 0.60
ADRA1A P35348 1/20 0.60
ATP4B P51164 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
SLC47A2 Q86VL8 1/20 0.60
SLC22A8 Q8TCC7 1/20 0.60
SLC47A1 Q96FL8 1/20 0.60

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
SCHEMBL9866192 0.96 HRH2 (0.60) HRH2MEN1SLC22A2LMNACYP1A2
SCHEMBL9866699 0.96 HRH2 (0.60) HRH2MEN1SLC22A2LMNACYP1A2
SCHEMBL9866085 0.96 HRH2 (0.60) HRH2MEN1SLC22A2LMNACYP1A2
SCHEMBL9866174 0.95 HRH2 (0.60) HRH2MEN1SLC22A2LMNACYP1A2
SCHEMBL9866180 0.95 HRH2 (0.60) HRH2MEN1SLC22A2LMNACYP1A2
SCHEMBL10858309 0.85 HRH2 (0.71) HRH2MEN1SLC22A2LMNACYP1A2
SCHEMBL9865639 0.84 HRH2 (0.46) HRH2MEN1SLC22A2LMNACYP1A2
SCHEMBL9866462 0.83 HRH4 (0.48) HRH2MEN1SLC22A2LMNACYP1A2
SCHEMBL11000612 0.83 HRH2 (0.48) HRH2MEN1SLC22A2LMNACYP1A2
SCHEMBL9865812 0.83 HRH2 (0.45) HRH2MEN1SLC22A2LMNACYP1A2

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 1 patent. 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