SCHEMBL27937609

SCHEMBL27937609

Cc1nc(Nc2nc(-c3ccc(C(=O)O)cc3)cc(N3CCC[C@@H](O)C3)n2)sc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.48
▸ PPARA Q07869 11/20 0.41
▸ IKBKB O14920 2/20 0.41
▸ PPARD Q03181 5/20 0.39
▸ PPARG P37231 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PIK3CG P48736 2/20 0.37
▸ CHUK O15111 1/20 0.37

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
SCHEMBL29831600 0.91 PDE5A (0.62) PDE5AKDM4EALDH1A1LMNAMAPT
SCHEMBL2680351 0.91 PDE5A (0.62) PDE5AKDM4EALDH1A1LMNAMAPT
SCHEMBL300373 0.91 PDE5A (0.62) PDE5AKDM4EALDH1A1LMNAMAPT
SCHEMBL26647596 0.84 PDE5A (0.58) PDE5AIKBKBPPARGKDM4EALDH1A1
SCHEMBL28020392 0.84 AURKA (0.48) PDE5AALDH1A1
SCHEMBL15546782 0.83 PDE5A (0.48) PDE5AIKBKBMEN1ALDH1A1KMT2A
SCHEMBL20559971 0.83 PDE5A (0.42) PDE5AALDH1A1
SCHEMBL27950930 0.83 PDE5A (0.61) PDE5AKDM4EMEN1ALDH1A1LMNA
SCHEMBL27937575 0.82 PDE5A (0.60) PDE5AIKBKBKDM4EMEN1ALDH1A1
SCHEMBL290380 0.82 PDE5A (0.56) PDE5APPARAKDM4EALDH1A1LMNA

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
CN-103547267-A Treatment of addiction and impulse control disorders using PDE7 inhibitors OMEROS CORP 2014-01-29 — — CN disclosed
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