SCHEMBL7449717

SCHEMBL7449717

N=C(N)c1ccc(Oc2ncccc2N2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 4/20 0.55
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
PDE10A Q9Y233 5/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7454287 0.88 TMPRSS15 (0.50) TMPRSS15PRSS1PRSS2PRSS3PDE10A
SCHEMBL13685570 0.78
SCHEMBL7439168 0.77 POLB (0.48) KDM4E
SCHEMBL13685325 0.73
SCHEMBL22974859 0.71 TMPRSS15 (1.00) TMPRSS15
SCHEMBL851218 0.70 PRSS1 (1.00) PRSS1PRSS2PRSS3
SCHEMBL7450760 0.69 ITGB3 (0.49) TMPRSS15PRSS1PRSS2PRSS3
SCHEMBL27582703 0.69 KDM4E (0.59) KDM4ECYP2C19
SCHEMBL2488394 0.69
SCHEMBL2485488 0.68

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
EP-0813525-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1997-12-29 EP claimed
WO-1996028427-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1996-09-19 WO claimed