SCHEMBL8934782

SCHEMBL8934782

Fc1ccc(C(c2ccc(F)cc2)C(CCn2ccnc2)OC(CCn2ccnc2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.68
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
QPCT Q16769 1/20 0.44
IDO1 P14902 1/20 0.44
CACNA1B Q00975 1/20 0.42
POLB P06746 1/20 0.41
CYP17A1 P05093 2/20 0.41

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
SCHEMBL11633201 0.78 CYP19A1 (0.73) CYP19A1CYP11B1CYP11B2QPCTPOLB
SCHEMBL11494331 0.75 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2QPCTCYP17A1
SCHEMBL11492274 0.75 CYP19A1 (0.63) CYP19A1CYP11B1CYP11B2CACNA1BCYP17A1
SCHEMBL8893008 0.74 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2
SCHEMBL11631856 0.74 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2QPCTPOLB
SCHEMBL11750244 0.72 CYP19A1 (0.63) CYP19A1QPCTPOLB
SCHEMBL8892342 0.72 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2
SCHEMBL11378017 0.72 CYP19A1 (0.63) CYP19A1CYP11B1CYP11B2QPCTPOLB
SCHEMBL11753443 0.70 CYP19A1 (0.56) CYP19A1POLB
SCHEMBL9374363 0.70 CYP19A1 (0.60) CYP19A1CYP11B1CYP11B2IDO1CYP17A1

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-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed