SCHEMBL631792

SCHEMBL631792

CC(=O)On1cc(C(=O)N2CCN(c3ccccc3C(C)(C)C)CC2)nc1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 15/20 0.52
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3792498 0.80 RBP4 (0.53) RBP4SMN1; SMN2MAPK1USP2KMT2A
SCHEMBL631780 0.79 RBP4 (0.52) RBP4SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL766148 0.79 RBP4 (0.56) RBP4SMN1; SMN2MAPK1USP2
SCHEMBL631781 0.79 RBP4 (0.50) RBP4SMN1; SMN2MAPK1USP2KMT2A
SCHEMBL766281 0.78 RBP4 (0.54) RBP4SMN1; SMN2MAPK1USP2ALDH1A1
SCHEMBL630593 0.76 RBP4 (0.61) RBP4SMN1; SMN2MAPK1USP2LMNA
SCHEMBL766086 0.74 L3MBTL1 (0.64) RBP4
SCHEMBL766164 0.73 GAA (0.70) RBP4SMN1; SMN2MAPK1USP2TSHR
SCHEMBL630839 0.73 RBP4 (0.75) RBP4ALDH1A1
SCHEMBL766323 0.72 RBP4 (0.87) RBP4SMN1; SMN2KMT2ALMNAMEN1

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-2419413-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
WO-2010119992-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 WO disclosed