SCHEMBL5779501

SCHEMBL5779501

COC(=O)CCC1CCc2c[c]ccc2N1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.39
FFAR4 Q5NUL3 1/20 0.36
NOTUM Q6P988 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TBXA2R P21731 1/20 0.31
PTGER4 P35408 1/20 0.31

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
SCHEMBL6231454 0.90 MTNR1A (0.39) MTNR1AFFAR4NOTUMALDH1A1LMNA
SCHEMBL5780742 0.88 MTNR1A (0.41) MTNR1AHTTKMT2AHSD17B10
SCHEMBL5819766 0.81 MTNR1A (0.37) MTNR1AFFAR4
SCHEMBL5812371 0.81 MTNR1A (0.42) MTNR1A
SCHEMBL5780450 0.79 MTNR1A (0.32) MTNR1A
SCHEMBL5776850 0.78 MTNR1A (0.39) MTNR1ANOTUMALDH1A1LMNAMAPT
SCHEMBL5778914 0.78 MTNR1A (0.41) MTNR1AHTTKMT2AHSD17B10
SCHEMBL5809399 0.73 HTT (0.38) HTTHSD17B10
SCHEMBL9646362 0.71 TDP1 (0.39) MAPT
SCHEMBL5777656 0.71 MTNR1A (0.37) MTNR1AFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO claimed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO claimed
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed