SCHEMBL5777901

SCHEMBL5777901

CC(=O)OCCc1cc2c[c]ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.41
MTNR1B P49286 5/20 0.41
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
P2RY12 Q9H244 3/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RAD52 P43351 1/20 0.32
SIRT1 Q96EB6 1/20 0.31
VCP P55072 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 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
SCHEMBL5778938 0.90 MTNR1A (0.40) MTNR1AMTNR1BPDE3BPDE3AP2RY12
SCHEMBL1662293 0.78 CYP1A2 (0.41) MTNR1AMTNR1BKDM4EHSD17B10
SCHEMBL5780813 0.78 MTNR1A (0.42) MTNR1AMTNR1BPDE3BPDE3AP2RY12
SCHEMBL5777826 0.78 MTNR1A (0.68) MTNR1AMTNR1BALDH1A1KDM4EHSD17B10
SCHEMBL694595 0.76 ADORA1 (0.39) MTNR1AMTNR1BALDH1A1KDM4EHSD17B10
SCHEMBL5178946 0.76 MTNR1A (0.36) MTNR1AMTNR1BSIRT1
SCHEMBL5778097 0.75 DAO (0.39) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL5777838 0.75 SMN1; SMN2 (0.50) ALDH1A1KDM4EHSD17B10TSHRSMN1; SMN2
SCHEMBL1661108 0.74 ALDH1A1 (0.39) MTNR1AMTNR1BALDH1A1KDM4EHSD17B10
SCHEMBL5777259 0.74 SMN1; SMN2 (0.40) MTNR1AMTNR1BALDH1A1KDM4EHSD17B10

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-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