SCHEMBL631780

SCHEMBL631780

CC(=O)On1c(C)nc(C(=O)N2CCN(c3ccccc3C(C)(C)C)CC2)c1C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 16/20 0.52
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL631792 0.79 RBP4 (0.52) RBP4POLBMEN1KMT2ANPSR1
SCHEMBL3792498 0.74 RBP4 (0.53) RBP4POLBMEN1KMT2ANPSR1
SCHEMBL630839 0.73 RBP4 (0.75) RBP4ALDH1A1
SCHEMBL766323 0.72 RBP4 (0.87) RBP4POLBMEN1KMT2ANPSR1
SCHEMBL3718602 0.71 RBP4 (0.72) RBP4POLBMEN1KMT2ANPSR1
SCHEMBL630593 0.71 RBP4 (0.61) RBP4LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL27873708 0.70 RBP4 (0.80) RBP4POLBMEN1KMT2ANPSR1
SCHEMBL3718601 0.70 RBP4 (0.69) RBP4POLBMEN1KMT2ANPSR1
SCHEMBL766086 0.69 L3MBTL1 (0.64) RBP4
SCHEMBL631197 0.69 RBP4 (0.69) RBP4SMN1; SMN2MAPTALDH1A1

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
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