SCHEMBL11231019

SCHEMBL11231019

Cc1ccc(CC2(CCCn3ccnc3)OCCCO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.47
CYP19A1 P11511 2/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HMOX1 P09601 2/20 0.44
ALDH1A1 P00352 1/20 0.42
PRKCI P41743 1/20 0.42

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
SCHEMBL11242613 0.95 QPCT (0.49) QPCTCYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11243106 0.93 CYP19A1 (0.49) QPCTCYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11249062 0.88 CYP2A6 (0.48) CYP19A1CYP11B1CYP11B2HMOX1ALDH1A1
SCHEMBL11245231 0.88 CYP19A1 (0.45) QPCTCYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11247280 0.88 CYP19A1 (0.51) QPCTCYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11244363 0.88 MEN1 (0.52) QPCTCYP19A1HMOX1ALDH1A1
SCHEMBL11241464 0.87 QPCT (0.46) QPCTCYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11248299 0.85 HMOX1 (0.53) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11243868 0.85 QPCT (0.44) QPCTCYP19A1CYP11B1CYP11B2HMOX1
Bromide SCHEMBL11237225 0.84 HMOX1 (0.52) CYP19A1CYP11B1CYP11B2HMOX1

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