SCHEMBL11243868

SCHEMBL11243868

CCC1(CC)COC(CCCn2ccnc2)(Cc2ccc(C)cc2)OC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.44
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ALDH1A1 P00352 1/20 0.40
PRKCI P41743 1/20 0.40
TSHR P16473 1/20 0.38
HMOX1 P09601 2/20 0.38
KDM4E B2RXH2 1/20 0.37
TBXAS1 P24557 1/20 0.37

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
SCHEMBL11249457 0.93 CYP19A1 (0.46) QPCTCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11247504 0.90 HMOX1 (0.46) CYP19A1CYP11B1CYP11B2ALDH1A1HMOX1
SCHEMBL11229630 0.90 CYP19A1 (0.41) QPCTCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11241464 0.89 QPCT (0.46) QPCTCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11242613 0.88 QPCT (0.49) QPCTCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11240598 0.86 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11229193 0.86 CYP19A1 (0.45) QPCTCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11231019 0.85 QPCT (0.47) QPCTCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11237243 0.83 HMOX1 (0.47) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11235149 0.83 HMOX1 (0.50) 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