SCHEMBL9709997

SCHEMBL9709997

N=C(NCCCc1c[nH]cn1)NCCC(c1ccc(F)cc1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.48
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 1/20 0.39
CYP19A1 P11511 3/20 0.39
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36
TBXAS1 P24557 1/20 0.35

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
SCHEMBL9710008 0.91 CYP19A1 (0.41) EPHX2CYP19A1LMNAHTT
SCHEMBL9709892 0.85 KDM1A (0.40) EPHX2KCNH2LMNAHPGD
Arpromidine SCHEMBL9710060 0.85 NPY1R (0.41)
SCHEMBL7285709 0.84 NPY1R (0.41) EPHX2
SCHEMBL7300955 0.84 NPY1R (0.49)
SCHEMBL7298207 0.82 EPHX2 (0.44) EPHX2CYP2C9CYP2C19SLC1A3SLC1A2
SCHEMBL9828096 0.81 NPY1R (0.38)
SCHEMBL9828126 0.81 EPHX2 (0.39) EPHX2KCNH2
SCHEMBL7285697 0.81 CYP19A1 (0.38) EPHX2CYP19A1LMNAHTTNPSR1
SCHEMBL7280178 0.80 EPHX2 (0.42) EPHX2CYP2C9CYP2C19SLC1A3SLC1A2

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
WO-1992022295-A1 USE OF GUANIDINE DERIVATIVES IN THE PREPARATION OF A DRUG FOR THE TREATMENT OF SEPSIS AND SEPSIS-LIKE CONDITIONS AND SEPTIC SHOCK NEUGEBAUER EDMUND (DE) 1992-12-23 WO disclosed