SCHEMBL11229630

SCHEMBL11229630

CCC1(CC)COC(CCCn2ccnc2)(Cc2ccccc2)OC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
QPCT Q16769 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
TBXAS1 P24557 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTA4H P09960 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
SCHEMBL11242485 0.93 CYP19A1 (0.43) CYP19A1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL11243868 0.90 QPCT (0.44) CYP19A1QPCTTBXAS1CYP11B1CYP11B2
SCHEMBL11247504 0.89 HMOX1 (0.46) CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11242514 0.89 CYP19A1 (0.43) CYP19A1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL11248495 0.86 CYP1A2 (0.44) CYP19A1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL11238757 0.86 HMOX1 (0.47) CYP19A1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL11235305 0.85 CYP19A1 (0.42) CYP19A1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL11245231 0.84 CYP19A1 (0.45) CYP19A1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL11246195 0.83 HMOX1 (0.46)
SCHEMBL11249457 0.83 CYP19A1 (0.46) CYP19A1QPCTCYP11B1CYP11B2ALDH1A1

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