SCHEMBL20495447

SCHEMBL20495447

CC(C)(C)OC(=O)N1CCN(c2cc(C(F)(F)F)ccc2Br)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ MGLL Q99685 3/20 0.44
▸ ABHD6 Q9BV23 3/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ STS P08842 1/20 0.44
▸ PLA2G7 Q13093 1/20 0.43
▸ ENPP2 Q13822 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMARCA2 P51531 1/20 0.43
▸ SMARCA4 P51532 1/20 0.43
▸ PBRM1 Q86U86 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL115105 0.90 GPR119 (0.53) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL19385731 0.86 MAPT (0.54) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL13261277 0.85 GPR119 (0.59) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL14453584 0.85 GPR119 (0.55) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL31142873 0.84 GPR119 (0.69) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL3922455 0.84 GPR119 (0.69) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL3923112 0.84 GPR119 (0.54) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL4422111 0.84 GPR119 (0.54) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL19582522 0.83 MAPT (0.51) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL29417615 0.83 MAPT (0.51) GPR119MAPTLMNAALDH1A1PDK2

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-2018163077-A1 INDANYL COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2018-09-13 — — WO disclosed
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