SCHEMBL5778914

SCHEMBL5778914

COC(=O)CC1CCc2cc[c]cc2N1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.41
EGFR P00533 1/20 0.35
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
JAK2 O60674 1/20 0.31
MIF P14174 5/20 0.31
HDAC6 Q9UBN7 1/20 0.31
GAA P10253 2/20 0.30
KMT2A Q03164 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
SCHEMBL5780742 0.90 MTNR1A (0.41) MTNR1AEGFRHTTHSD17B10JAK2
SCHEMBL6231454 0.88 MTNR1A (0.39) MTNR1AHTTHSD17B10KMT2A
SCHEMBL5775457 0.88 MTNR1A (0.39) MTNR1AHTTHSD17B10MIFKMT2A
SCHEMBL8652436 0.81 MTNR1A (0.60) MTNR1AEGFRHTTHSD17B10JAK2
SCHEMBL9062941 0.81 MTNR1A (0.60) MTNR1AEGFRHTTHSD17B10JAK2
Hydrochloric Acid SCHEMBL8653028 0.80 MTNR1A (0.59) MTNR1AEGFRHTTHSD17B10JAK2
SCHEMBL8358122 0.78 MTNR1A (0.41) MTNR1AEGFRHTTHSD17B10ITGB3
SCHEMBL5776850 0.78 MTNR1A (0.39) MTNR1AHTTHSD17B10MIFKMT2A
SCHEMBL5777656 0.78 MTNR1A (0.37) MTNR1A
SCHEMBL5779501 0.78 MTNR1A (0.39) MTNR1AHTTHSD17B10KMT2A

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-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-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