SCHEMBL5777656

SCHEMBL5777656

CC(=O)OCCC1CCc2cc[c]cc2N1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.37
SLC18A3 Q16572 2/20 0.31
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL5819766 0.90 MTNR1A (0.37) MTNR1ASLC18A3FFAR4
SCHEMBL5775500 0.81 MTNR1A (0.42) MTNR1A
SCHEMBL6231454 0.81 MTNR1A (0.39) MTNR1AFFAR4
SCHEMBL6825156 0.80 DRD2 (0.38) MTNR1AFFAR4
SCHEMBL5780250 0.79 MTNR1A (0.32) MTNR1A
SCHEMBL5775457 0.78 MTNR1A (0.39) MTNR1A
SCHEMBL5778914 0.78 MTNR1A (0.41) MTNR1A
SCHEMBL5778966 0.77 PNMT (0.35) MTNR1A
SCHEMBL5779719 0.73 ALDH1A1 (0.31)
SCHEMBL8744817 0.71 IRAK4 (0.36)

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
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