SCHEMBL7475845

SCHEMBL7475845

CCC(=O)Nc1c(C)cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc1COC(=O)C(=O)OCc1cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc(C)c1NC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
OPRD1 P41143 1/20 0.35
NPBWR1 P48145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL2831451 0.90 L3MBTL1 (0.44) L3MBTL1ABL1RIN1KMT2AMEN1
Hydrochloric Acid SCHEMBL7469382 0.89 L3MBTL1 (0.44) L3MBTL1ABL1RIN1KMT2AMEN1
Oxalic Acid SCHEMBL7475838 0.89 L3MBTL1 (0.42) L3MBTL1ABL1RIN1KMT2AMEN1
Hydrochloric Acid SCHEMBL4020264 0.88 L3MBTL1 (0.43) L3MBTL1ABL1RIN1KMT2AMEN1
Hydrochloric Acid SCHEMBL7470582 0.85 L3MBTL1 (0.41) L3MBTL1ABL1RIN1KMT2AMEN1
Piperidine SCHEMBL7470820 0.84 L3MBTL1 (0.42) L3MBTL1ABL1RIN1KMT2AMEN1
SCHEMBL7466257 0.83 ABL1 (0.44) L3MBTL1ABL1RIN1KMT2AMEN1
Hydrochloric Acid SCHEMBL7475741 0.83 L3MBTL1 (0.40) L3MBTL1ABL1RIN1KMT2AMEN1
SCHEMBL27675909 0.79 L3MBTL1 (0.44) L3MBTL1ABL1RIN1KMT2AMEN1
Hydrochloric Acid SCHEMBL7470813 0.79 L3MBTL1 (0.42) L3MBTL1ABL1RIN1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed