SCHEMBL11235588

SCHEMBL11235588

c1ccc(CCC2(CCn3ccnc3)OCCCO2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 4/20 0.55
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
TBXAS1 P24557 1/20 0.46
QPCT Q16769 1/20 0.46
CYP4Z1 Q86W10 1/20 0.46
QPCTL Q9NXS2 1/20 0.46

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
SCHEMBL11245996 0.95 HMOX1 (0.60) HMOX1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL11231971 0.89 CYP19A1 (0.47) HMOX1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL443911 0.89 HMOX1 (0.70) HMOX1
SCHEMBL11248831 0.88 HMOX1 (0.58) HMOX1
SCHEMBL11237925 0.88 HMOX1 (0.56) HMOX1CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL11239982 0.88 HMOX1 (0.70) HMOX1
SCHEMBL11234353 0.85 HMOX1 (0.47) HMOX1
SCHEMBL11246856 0.85 HMOX1 (0.53) HMOX1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL11246195 0.83 HMOX1 (0.46) HMOX1
SCHEMBL11249736 0.83 HMOX1 (0.49) HMOX1CYP1A2POLBCYP3A4CYP2D6

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