SCHEMBL5776850

SCHEMBL5776850

CCOC(=O)CC1CCc2c[c]ccc2N1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
MIF P14174 1/20 0.33
HSD17B1 P14061 1/20 0.32
NOTUM Q6P988 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 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
SCHEMBL5775457 0.90 MTNR1A (0.39) MTNR1ATSHRHSD17B10CYP1A2KMT2A
SCHEMBL5780742 0.88 MTNR1A (0.41) MTNR1AHSD17B10KMT2AMIFHTT
SCHEMBL11627496 0.82 MTNR1A (0.57) MTNR1ATSHRHSD17B10CYP1A2KMT2A
SCHEMBL12450088 0.79 KMT2A (0.42) MTNR1ATSHRHSD17B10CYP1A2KMT2A
SCHEMBL5819766 0.78 MTNR1A (0.37) MTNR1A
SCHEMBL5779501 0.78 MTNR1A (0.39) MTNR1AHSD17B10KMT2AALDH1A1MAPT
SCHEMBL5778914 0.78 MTNR1A (0.41) MTNR1AHSD17B10KMT2AMIFHTT
SCHEMBL5812371 0.73 MTNR1A (0.42) MTNR1A
SCHEMBL5775643 0.72 TSHR (0.46) TSHRHSD17B10CYP1A2KMT2AALDH1A1
SCHEMBL17748955 0.71 GAA (0.34) MTNR1ATSHRCYP1A2MAPK1SMN1; SMN2

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

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