SCHEMBL7702565

SCHEMBL7702565

Cc1cc(C)cc(-c2nc3ccc(C(=O)N(C(C)C)C(C)C)cn3c2CCNCc2ccc(-c3cccnc3)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
CYP2A6 P11509 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2B6 P20813 1/20 0.39
TBXAS1 P24557 8/20 0.34
PTAFR P25105 5/20 0.34
PLAU P00749 2/20 0.34
GNRHR P30968 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34

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
SCHEMBL8176808 0.76 GNRHR (0.59) GNRHR
SCHEMBL8519694 0.69 GNRHR (0.55) GNRHR
SCHEMBL7696241 0.68 GNRHR (0.47) GNRHR
SCHEMBL8397440 0.65 GNRHR (0.51) GNRHR
SCHEMBL8344835 0.63 GNRHR (0.63) GNRHR
SCHEMBL31061518 0.62 CYP2A6 (1.00) CYP2D6CYP2A6CYP2C9CYP2C19CYP2E1
SCHEMBL3615338 0.62 CYP2A6 (1.00) CYP2D6CYP2A6CYP2C9CYP2C19CYP2E1
SCHEMBL8182738 0.61 GNRHR (0.71) GNRHR
SCHEMBL3609841 0.60 CYP2A6 (0.71) CYP2D6CYP2A6CYP2C9CYP2C19CYP2E1
SCHEMBL7698735 0.60 GNRHR (0.60) GNRHR

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
WO-2002066477-A2 IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2002-08-29 WO claimed
WO-2002066477-A2 IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2002-08-29 WO disclosed