SCHEMBL10877286

SCHEMBL10877286

COc1ccc2[nH]cc(CC(=O)Oc3ccc(C(=O)N4CCN(C(C)C)CC4)cc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.57
KDM4E B2RXH2 2/20 0.52
ACHE P22303 3/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DRD3 P35462 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL10876425 0.83 AKR1C2 (0.53) HRH3KDM4EALDH1A1HSD17B10DRD3
SCHEMBL10877223 0.77 PTGS2 (0.56) KMT2A
SCHEMBL10876226 0.76 PTGS2 (0.61)
SCHEMBL10874692 0.75 TLR9 (0.48) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13503751 0.75 DRD3 (0.71) HRH3KDM4EALDH1A1HPGDDRD3
SCHEMBL25100761 0.74 KDM4E (0.70) HRH3KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11080288 0.74 HTR1A (0.51) HRH3KDM4EHTR1AHTR2A
SCHEMBL2686551 0.74 KDM4E (0.77) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2219499 0.73 HRH3 (1.00) HRH3
SCHEMBL2625194 0.73 KDM4E (0.75) HRH3KDM4EALDH1A1HPGDHSD17B10

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-4605739-A CHYMOTRYPSIN INHIBITORS; PANCREATIC DISORDERS KOWA CO., LTD. (JP) 1986-08-12 US claimed