SCHEMBL7478308

SCHEMBL7478308

CC(C)([C]=O)Cn1cncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
HSP90AA1 P07900 2/20 0.41
CYP19A1 P11511 6/20 0.40
UGT1A4 P22310 1/20 0.40
PDE4D Q08499 1/20 0.40
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 2/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
LMNA P02545 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP51A1 Q16850 1/20 0.36
AR P10275 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL6984785 0.77 FDPS (0.50) FDPSHSP90AA1CYP19A1UGT1A4PDE4D
SCHEMBL4640786 0.74 FDPS (0.56) FDPSHSP90AA1CYP19A1UGT1A4PDE4D
SCHEMBL11168444 0.74 FDPS (0.56) FDPSHSP90AA1CYP19A1UGT1A4PDE4D
SCHEMBL7478315 0.73 FDPS (0.47) FDPSHSP90AA1CYP19A1UGT1A4PDE4D
SCHEMBL6884466 0.72 FDPS (0.50) FDPSHSP90AA1CYP19A1UGT1A4PDE4D
SCHEMBL21277060 0.71 FDPS (0.53) FDPSHSP90AA1CYP19A1UGT1A4PDE4D
SCHEMBL25020858 0.69 FDPS (0.43) FDPSHSP90AA1CYP19A1UGT1A4PDE4D
SCHEMBL8468188 0.69 HSP90AA1 (0.49) FDPSHSP90AA1CYP19A1UGT1A4PDE4D
SCHEMBL10515723 0.69 FDPS (0.51) FDPSHSP90AA1CYP19A1UGT1A4PDE4D
SCHEMBL17621603 0.69 FDPS (0.47) FDPSHSP90AA1CYP19A1UGT1A4PDE4D

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 5 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-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 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