SCHEMBL24158288

SCHEMBL24158288

Nc1ncnn2c(C3(CCCO)O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3F)ccc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.37
▸ PTPN1 P18031 6/20 0.34
▸ CDC25B P30305 6/20 0.34
▸ HSPA5 P11021 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ PTPN2 P17706 2/20 0.31
▸ PTPN6 P29350 2/20 0.31
▸ PTPN11 Q06124 2/20 0.31
▸ SSTR1 P30872 1/20 0.30
▸ SSTR2 P30874 1/20 0.30
▸ SSTR4 P31391 1/20 0.30
▸ SSTR3 P32745 1/20 0.30
▸ SSTR5 P35346 1/20 0.30
▸ GJB2 P29033 1/20 0.30
▸ BCHE P06276 1/20 0.30

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
SCHEMBL18666866 0.89 PDE2A (0.38) PDE2APTPN1CDC25BHSPA5HTR1A
SCHEMBL12393377 0.86 PTPN1 (0.36) PDE2APTPN1CDC25BHSPA5HTR1A
SCHEMBL29113115 0.86 PDE2A (0.39) PDE2APTPN1CDC25BHSPA5HTR1A
SCHEMBL18636484 0.86 PDE2A (0.39) PDE2APTPN1CDC25BHSPA5HTR1A
SCHEMBL24058130 0.84 PDE2A (0.39) PDE2APTPN1CDC25BHSPA5HTR1A
SCHEMBL18636427 0.84 PDE2A (0.39) PDE2APTPN1CDC25BHSPA5HTR1A
SCHEMBL25826686 0.82 PDE2A (0.36) PDE2APTPN1CDC25BHSPA5HTR1A
SCHEMBL24158032 0.82 PDE2A (0.38) PDE2APTPN1CDC25BHSPA5HTR1A
SCHEMBL22646505 0.82 PDE2A (0.38) PDE2APTPN1CDC25BHSPA5HTR1A
SCHEMBL31063739 0.81 PDE2A (0.37) PDE2APTPN1CDC25BHSPA5HTR1A

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
EP-3785717-B1 METHODS FOR TREATING CORONAVIRIDAE INFECTIONS GILEAD SCIENCES INC (US) 2022-01-05 — — EP disclosed
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