SCHEMBL8124697

SCHEMBL8124697

COC(=O)N[C@H]1CCCCC1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccc(C)c(F)c2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.43
HCRTR2 O43614 9/20 0.43
CHRM3 P20309 2/20 0.34
FFAR1 O14842 1/20 0.33
PPARD Q03181 1/20 0.33
KDM1A O60341 1/20 0.33
CHEK2 O96017 1/20 0.33
USP19 O94966 2/20 0.32

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
SCHEMBL13705411 1.00 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3FFAR1PPARD
SCHEMBL4281562 0.97 HCRTR1 (0.44) HCRTR1HCRTR2CHRM3FFAR1PPARD
SCHEMBL13705418 0.95 HCRTR1 (0.42) HCRTR1HCRTR2CHRM3CHEK2USP19
SCHEMBL8118892 0.95 HCRTR1 (0.42) HCRTR1HCRTR2CHRM3CHEK2USP19
SCHEMBL13705466 0.95 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3CHEK2USP19
SCHEMBL13705419 0.93 HCRTR1 (0.40) HCRTR1HCRTR2CHEK2
SCHEMBL8126947 0.93 HCRTR1 (0.40) HCRTR1HCRTR2CHEK2
SCHEMBL13705473 0.93 HCRTR1 (0.40) HCRTR1HCRTR2CHRM3CHEK2USP19
SCHEMBL4287699 0.92 HCRTR1 (0.43) HCRTR1HCRTR2KDM1ACHEK2
SCHEMBL13705420 0.91 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3CHEK2USP19

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed