SCHEMBL13175437

SCHEMBL13175437

COc1ccc(-c2cc(C(=O)N3CCC(CC(C)(C)O)CC3)[nH]n2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
TACR3 P29371 10/20 0.53
THRB P10828 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
TACR2 P21452 3/20 0.51
TACR1 P25103 3/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
AKR1C3 P42330 3/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL13175636 0.92 KDM5B (0.61) MAPTTACR3THRBKDM5BTACR2
SCHEMBL13175715 0.90 AKR1C3 (0.50) MAPTTACR3KDM5BTACR2TACR1
SCHEMBL13175446 0.89 THRB (0.51) MAPTTACR3THRBKDM5BTACR2
SCHEMBL13175424 0.87 AKR1C3 (0.48) MAPTTACR3KDM5BTACR2TACR1
SCHEMBL13175686 0.86 AKR1C3 (0.61) MAPTTACR3THRBTACR2TACR1
SCHEMBL13175620 0.86 TACR3 (0.58) MAPTTACR3KDM5BTACR2TACR1
SCHEMBL13175438 0.85 TACR3 (0.53) MAPTTACR3KDM5BTACR2TACR1
SCHEMBL13175494 0.84 AKR1C3 (0.46) MAPTTACR3KDM5BTACR2TACR1
SCHEMBL13175948 0.83 MEN1 (0.59) MAPTTACR3KDM5BTACR2TACR1
SCHEMBL13175611 0.83 AKR1C3 (0.51) TACR3THRBKDM5BTACR2TACR1

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-2010101128-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed