SCHEMBL4063136

SCHEMBL4063136

CC(C)Oc1ccccc1C1CCN(C(=O)c2cn(C(C=O)N3CCN(C)CC3)c3cc(Cl)ccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AVPR1A P37288 6/20 0.39
RXFP1 Q9HBX9 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CNR1 P21554 2/20 0.34
TPSAB1 Q15661 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RBP4 P02753 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL4056816 0.92 MEN1 (0.51) MEN1KMT2AAVPR1ATP53ALOX15
SCHEMBL4062349 0.90 MGLL (0.41) MEN1KMT2AAVPR1ARXFP1TPSAB1
SCHEMBL28771302 0.86 AVPR1A (0.41) MEN1KMT2AAVPR1ATP53CNR1
SCHEMBL4058086 0.85 KMT2A (0.40) MEN1KMT2AAVPR1ARXFP1LMNA
SCHEMBL28771298 0.83 AVPR1A (0.42) MEN1KMT2AAVPR1ATP53CNR1
SCHEMBL4057822 0.82 AVPR1A (0.40) MEN1KMT2AAVPR1ARXFP1LMNA
SCHEMBL614916 0.81 AVPR1A (0.56) MEN1KMT2AAVPR1ACNR1ALDH1A1
SCHEMBL4629615 0.78 MAPT (0.47) MEN1KMT2ALMNATSHRMAPT
SCHEMBL615187 0.77 AVPR1A (0.55) MEN1KMT2AAVPR1ACNR1TPSAB1
SCHEMBL27736975 0.76 AVPR1A (0.40) MEN1KMT2AAVPR1ACNR1TPSAB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009502859-A 2009-01-29 JP claimed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP claimed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO claimed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed