SCHEMBL7686284

SCHEMBL7686284

CCCCOC(=O)COc1ccc(C(=O)CN2CCN(C3CCN4C(=O)OC4(Cc4oc(=O)oc4C)C3)CC2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
THRA P10827 1/20 0.33
HRH3 Q9Y5N1 6/20 0.32
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 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
SCHEMBL7686287 0.85 CYP2D6 (0.38) THRBALDH1A1LMNAMAPTKMT2A
SCHEMBL9031736 0.81 USP2 (0.35) ALDH1A1MAPTPOLBHRH3SMN1; SMN2
SCHEMBL7837763 0.79 HRH2 (0.34) THRBALDH1A1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL7680696 0.77 HRH2 (0.43) THRBALDH1A1LMNAMAPTKMT2A
SCHEMBL7687002 0.76 KDM4E (0.33) ALDH1A1MAPTHRH3SMN1; SMN2CYP2D6
SCHEMBL7680139 0.75 HRH2 (0.42) ALDH1A1POLBNPC1HRH3SMN1; SMN2
SCHEMBL7684783 0.74 ACHE (0.35) ALDH1A1MAPTHRH3TP53SMN1; SMN2
SCHEMBL7837219 0.73 HRH2 (0.40) ALDH1A1POLBNPC1HRH3SMN1; SMN2
SCHEMBL9030284 0.72 POLB (0.39) ALDH1A1MAPTPOLBHRH3CYP2D6
Hydrochloric Acid SCHEMBL7680655 0.72 POLB (0.38) ALDH1A1MAPTPOLBHRH3CYP2D6

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-6472397-B1 Nitrogen-containing heterocyclic compounds having antiplatelet aggregation effect and medicinal use thereof MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-29 US disclosed