SCHEMBL11245231

SCHEMBL11245231

c1ccc(CC2(CCCn3ccnc3)OCCCO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
QPCT Q16769 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
TBXAS1 P24557 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
QPCTL Q9NXS2 1/20 0.44
HMOX1 P09601 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11238757 0.95 HMOX1 (0.47) CYP19A1QPCTCYP1A2POLBCYP3A4
SCHEMBL11231971 0.93 CYP19A1 (0.47) CYP19A1QPCTCYP1A2POLBCYP3A4
SCHEMBL11249062 0.88 CYP2A6 (0.48) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11231019 0.88 QPCT (0.47) CYP19A1QPCTCYP11B1CYP11B2HMOX1
SCHEMBL11249736 0.87 HMOX1 (0.49) CYP19A1QPCTCYP1A2POLBCYP3A4
Hydrochloric Acid SCHEMBL11233251 0.86 HMOX1 (0.50) CYP19A1QPCTCYP1A2POLBCYP3A4
SCHEMBL11242514 0.86 CYP19A1 (0.43) CYP19A1QPCTCYP1A2POLBCYP3A4
SCHEMBL11244363 0.85 MEN1 (0.52) CYP19A1QPCTCYP1A2CYP3A4CYP2D6
SCHEMBL11240247 0.85 HMOX1 (0.52) CYP19A1QPCTCYP1A2POLBCYP3A4
SCHEMBL11229630 0.84 CYP19A1 (0.41) CYP19A1QPCTCYP1A2POLBCYP3A4

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