SCHEMBL11235557

SCHEMBL11235557

CC1COC(CCn2ccnc2)(c2ccccc2)O1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.47
TBXAS1 P24557 1/20 0.42
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL11253014 0.93 HMOX1 (0.46) HMOX1TBXAS1CYP19A1
SCHEMBL11242355 0.92 HMOX1 (0.45) HMOX1TBXAS1CYP19A1
SCHEMBL11243032 0.89 HMOX1 (0.57) HMOX1
SCHEMBL11245162 0.89 HMOX1 (0.47) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11257861 0.87 HMOX1 (0.43) HMOX1TBXAS1CYP19A1
SCHEMBL11233835 0.86 KMT2A (0.45) HMOX1CYP11B1CYP11B2
SCHEMBL11246401 0.86 MEN1 (0.46) HMOX1
SCHEMBL11236215 0.84 HMOX1 (0.42) HMOX1TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11243518 0.84 TBXAS1 (0.47) TBXAS1CYP19A1CYP11B1CYP11B2OPRM1
SCHEMBL11235683 0.83 HMOX1 (0.55) HMOX1

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-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed