SCHEMBL3718602

SCHEMBL3718602

CC(=O)Oc1ccc(C(=O)N2CCN(c3ccccc3C(C)(C)C)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 11/20 0.72
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
POLB P06746 2/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
BCHE P06276 1/20 0.48
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL631800 0.97 RBP4 (0.67) RBP4KMT2AMEN1POLBLMNA
SCHEMBL3718601 0.88 RBP4 (0.69) RBP4KMT2AMEN1POLBLMNA
SCHEMBL766272 0.88 RBP4 (0.75) RBP4KMT2AMEN1POLBLMNA
SCHEMBL766323 0.85 RBP4 (0.87) RBP4KMT2AMEN1POLBLMNA
SCHEMBL630919 0.84 RBP4 (1.00) RBP4KMT2AMEN1POLBLMNA
SCHEMBL631691 0.84 RBP4 (0.81) RBP4KMT2AMEN1POLBLMNA
SCHEMBL631907 0.83 RBP4 (0.75) RBP4KMT2AMEN1POLBLMNA
SCHEMBL766305 0.83 RBP4 (0.71) RBP4KMT2AMEN1POLBLMNA
SCHEMBL3723299 0.83 RBP4 (0.74) RBP4KMT2AMEN1POLBMAPT
SCHEMBL766204 0.83 RBP4 (0.79) RBP4KMT2AMEN1POLBLMNA

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
CN-102459209-A Derivatives of N-acyl-N' -phenylpiperazines for the prevention or treatment of diabetes (etc.) TAKEDA PHARMACEUTICAL 2012-05-16 CN 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