SCHEMBL3785257

SCHEMBL3785257

CCCCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.58
▸ LMNA P02545 3/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HTT P42858 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ DDB1 Q16531 1/20 0.53
▸ CRBN Q96SW2 1/20 0.53
▸ GPR119 Q8TDV5 7/20 0.52
▸ S1PR1 P21453 1/20 0.52
▸ NAMPT P43490 1/20 0.51
▸ ME2 P23368 1/20 0.51
▸ ME1 P48163 1/20 0.51
▸ ME3 Q16798 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ESRRB O95718 1/20 0.48

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
SCHEMBL3709870 0.92 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5464809 0.91 NAMPT (0.57) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3124993 0.90 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3114683 0.89 MAPT (0.57) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL23355487 0.87 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3807661 0.87 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL19212323 0.86 MAPT (0.60) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5573222 0.85 MAPT (0.76) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL22776398 0.85 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL1136833 0.84 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2MEN1

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-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 — — WO disclosed
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