SCHEMBL9710076

SCHEMBL9710076

O=C(N/C(=N\CCCc1c[nH]cn1)NCCC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.46
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH2 P25021 3/20 0.39
HRH4 Q9H3N8 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7431300 1.00 EPHX2 (0.46) EPHX2CYP2C9CYP2C19HRH2HRH4
SCHEMBL9866144 0.95 EPHX2 (0.43) EPHX2CYP2C9CYP2C19HRH2HRH4
SCHEMBL9866130 0.93 EPHX2 (0.41) EPHX2CYP2C9CYP2C19HRH2HRH4
SCHEMBL9866135 0.93 EPHX2 (0.41) EPHX2CYP2C9CYP2C19HRH2HRH4
SCHEMBL9865305 0.93 NPY1R (0.41)
SCHEMBL7431296 0.92 EPHX2 (0.41) EPHX2CYP2C9CYP2C19HRH2
SCHEMBL7431291 0.92 EPHX2 (0.41) EPHX2CYP2C9CYP2C19HRH2
SCHEMBL11080978 0.89 HRH2 (0.47) HRH2HRH4
SCHEMBL9866078 0.89 EPHX2 (0.39) EPHX2
SCHEMBL7311277 0.87 CNR1 (0.38) EPHX2HRH2

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