SCHEMBL4629043

SCHEMBL4629043

CC(C)Oc1ccccc1C1CCN(C(=O)c2[c][nH]c3cc(Cl)ccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RBP4 P02753 4/20 0.45
AVPR1A P37288 2/20 0.43
ADAM17 P78536 2/20 0.39
ADAMTS5 Q9UNA0 2/20 0.39
TRPC6 Q9Y210 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MAP2 P11137 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
PTGDR Q13258 1/20 0.37

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
SCHEMBL612409 0.83 AVPR1A (0.66) MEN1KMT2ARBP4AVPR1A
SCHEMBL12024594 0.72 MEN1 (0.45) MEN1KMT2ARBP4AVPR1AADAM17
SCHEMBL615187 0.72 AVPR1A (0.55) MEN1KMT2AAVPR1A
SCHEMBL613085 0.72 AVPR1A (0.70) MEN1KMT2ARBP4AVPR1A
SCHEMBL614601 0.71 MEN1 (0.61) MEN1KMT2ARBP4AVPR1A
SCHEMBL614916 0.71 AVPR1A (0.56) MEN1KMT2AAVPR1A
SCHEMBL7569555 0.70 BRD4 (0.49) MEN1KMT2A
SCHEMBL4063136 0.70 MEN1 (0.41) MEN1KMT2ARBP4AVPR1APTGDR2
SCHEMBL6922546 0.69 GPR119 (0.51) MEN1KMT2A
SCHEMBL28771298 0.69 AVPR1A (0.42) MEN1KMT2AAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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