SCHEMBL4753553

SCHEMBL4753553

CC(C)(C)OC(=O)N(CCc1ccc(-c2ccccc2)cc1)CC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CETP P11597 2/20 0.36
USP30 Q70CQ3 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCD O00767 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
WNT3 P56703 1/20 0.35
SFRP1 Q8N474 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL12894957 0.92 SMO (0.41) SMOBACE1BACE2TSHRHTT
SCHEMBL1222764 0.82 SMO (0.40) SMOBACE1BACE2USP30MEN1
SCHEMBL1222810 0.82 CYP2C9 (0.45) TSHRHTTMEN1KMT2ASCD
SCHEMBL12894959 0.79 SMO (0.44) SMOSMN1; SMN2LMNACETPSCD
Hydrochloric Acid SCHEMBL4755565 0.76 SMO (0.44) SMOSMN1; SMN2LMNACETPMEN1
Hydrochloric Acid SCHEMBL4755567 0.76 SCD (0.44) SMOSCD
SCHEMBL1221107 0.75 SCN5A (0.44) SMOLMNAMEN1KMT2ASCD
SCHEMBL12894671 0.75 SMO (0.42) SMOSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL224423 0.72 GPR119 (0.49) LMNAMEN1KMT2ASCDHCRTR1
SCHEMBL4755595 0.72 FFAR1 (0.45) LMNATSHRHTT

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-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed