SCHEMBL11240247

SCHEMBL11240247

c1ccc(CC2(Cn3ccnc3)OCCCO2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.52
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
CYP19A1 P11511 1/20 0.49
TBXAS1 P24557 1/20 0.49
QPCT Q16769 1/20 0.49
CYP4Z1 Q86W10 1/20 0.49
QPCTL Q9NXS2 1/20 0.49
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 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
SCHEMBL11262605 0.94 HMOX1 (0.57) HMOX1CYP1A2CYP3A4CYP2D6CYP11B1
Bromide SCHEMBL11240418 0.93 HMOX1 (0.56) HMOX1CYP1A2CYP3A4CYP2D6CYP11B1
SCHEMBL11238359 0.87 HMOX1 (0.56) HMOX1CYP11B1CYP11B2CYP19A1
SCHEMBL11231971 0.87 CYP19A1 (0.47) HMOX1CYP1A2CYP3A4CYP2D6CYP11B1
SCHEMBL11248299 0.87 HMOX1 (0.53) HMOX1CYP11B1CYP11B2CYP19A1
SCHEMBL443911 0.87 HMOX1 (0.70) HMOX1
Hydrochloric Acid SCHEMBL11239982 0.86 HMOX1 (0.70) HMOX1
Bromide SCHEMBL11237225 0.86 HMOX1 (0.52) HMOX1CYP11B1CYP11B2CYP19A1
SCHEMBL11240478 0.85 CYP11B1 (0.55) HMOX1CYP1A2CYP3A4CYP2D6CYP11B1
SCHEMBL11245231 0.85 CYP19A1 (0.45) HMOX1CYP1A2CYP3A4CYP2D6CYP11B1

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