SCHEMBL9256582

SCHEMBL9256582

CCP(=O)(CC)NC(=N)c1ccc(-c2cn(C)c(-c3ccc(CCC(=O)OC)cc3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 4/20 0.34
TLR8 Q9NR97 1/20 0.33
HDAC1 Q13547 1/20 0.33
EP300 Q09472 2/20 0.33
SNCA P37840 1/20 0.32
NAMPT P43490 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL9257104 0.85 HRH3 (0.39) HRH3HPGDTSHRHSD17B10NPC1
SCHEMBL9257434 0.83 NPC1 (0.42) HRH3HPGDTSHRHSD17B10NPC1
SCHEMBL9259034 0.83 NPC1 (0.42) HRH3HPGDTSHRHSD17B10NPC1
Hydrochloric Acid SCHEMBL9256062 0.82 NPC1 (0.41) HRH3HPGDTSHRHSD17B10NPC1
SCHEMBL9256151 0.80 HPGD (0.35) HRH3HPGDTSHRHSD17B10NPC1
SCHEMBL9257842 0.79 HRH3 (0.34) HRH3HPGDTSHRHSD17B10NPC1
SCHEMBL9248511 0.79 HRH3 (0.42) HRH3HPGDTSHRHSD17B10NPC1
SCHEMBL9251212 0.79 HRH3 (0.42) HRH3HPGDTSHRHSD17B10NPC1
SCHEMBL9254248 0.79 CASP1 (0.35) HRH3HPGDTSHRHSD17B10NPC1
SCHEMBL9250731 0.79 HRH3 (0.34) HRH3HPGDTSHRHSD17B10NPC1

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-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed