SCHEMBL9056534

SCHEMBL9056534

c1ccc(CN(C2CCCCCC2)n2ccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.51
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TBXAS1 P24557 1/20 0.43
QPCT Q16769 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
G6PC1 P35575 1/20 0.40
CYP2B6 P20813 1/20 0.39

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
SCHEMBL8810832 0.82 G6PC1 (0.46) G6PC1
SCHEMBL9057190 0.78 CYP1A2 (0.57) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8818077 0.77 G6PC1 (0.44) CYP19A1G6PC1
SCHEMBL9056764 0.76 G6PC1 (0.41) G6PC1
SCHEMBL9056641 0.75 G6PC1 (0.40) CYP19A1G6PC1
SCHEMBL9062965 0.75 G6PC1 (0.40) CYP19A1MAPTG6PC1
SCHEMBL8812187 0.70 G6PC1 (0.46) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24323034 0.69 G6PC1 (0.51) G6PC1
SCHEMBL8172289 0.69 G6PC1 (0.51) G6PC1
SCHEMBL9057773 0.69 MC4R (0.46) G6PC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed