SCHEMBL13627776

SCHEMBL13627776

CNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.45
AGTR2 P50052 3/20 0.45
BDKRB2 P30411 2/20 0.44
BACE1 P56817 2/20 0.44
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
MMP2 P08253 2/20 0.40
ANPEP P15144 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
POLB P06746 1/20 0.40
PTPN1 P18031 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
SCHEMBL5635251 0.87 AGTR2 (0.57) MMP9AGTR2BDKRB2BACE1CTSL
SCHEMBL13979529 0.87 AGTR2 (0.48) MMP9AGTR2BDKRB2BACE1HRH3
SCHEMBL5635255 0.87 AGTR2 (0.57) MMP9AGTR2BDKRB2BACE1CTSL
SCHEMBL6945211 0.85 ABCB1 (0.51) MMP9AGTR2CYP3A4POLBABCB1
SCHEMBL15729698 0.85 AGTR2 (0.54) AGTR2MMP2
SCHEMBL15729699 0.85 AGTR2 (0.54) AGTR2MMP2
SCHEMBL6945215 0.85 ABCB1 (0.51) MMP9AGTR2CYP3A4POLBABCB1
SCHEMBL6939235 0.81 POLB (0.51) LMNACYP3A4SMN1; SMN2POLBPTPN1
SCHEMBL6939240 0.81 POLB (0.51) LMNACYP3A4SMN1; SMN2POLBPTPN1
SCHEMBL15729696 0.81 MC4R (0.41) AGTR2HRH3PTPN1

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
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed