SCHEMBL5777826

SCHEMBL5777826

CC(=O)NCCc1cc2c[c]ccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.68
MTNR1B P49286 7/20 0.68
HTT P42858 1/20 0.43
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
BACE1 P56817 1/20 0.40
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL5779606 0.90 MTNR1A (0.67) MTNR1AMTNR1BHTTKDM4EHSD17B10
SCHEMBL2629360 0.81 MTNR1A (1.00) MTNR1AMTNR1BHTTCYP1A2LMNA
SCHEMBL31543680 0.79 MTNR1A (0.70) MTNR1AMTNR1BHTTKDM4EHSD17B10
SCHEMBL1662293 0.78 CYP1A2 (0.41) MTNR1AMTNR1BKDM4EHSD17B10CYP1A2
SCHEMBL5777901 0.78 MTNR1A (0.41) MTNR1AMTNR1BKDM4EHSD17B10SMN1; SMN2
SCHEMBL5780813 0.78 MTNR1A (0.42) MTNR1AMTNR1BHTTKDM4EHSD17B10
SCHEMBL28468935 0.76 MTNR1A (1.00) MTNR1AMTNR1BKDM4EHSD17B10ALDH1A1
SCHEMBL694595 0.76 ADORA1 (0.39) MTNR1AMTNR1BKDM4EHSD17B10SMN1; SMN2
SCHEMBL5178946 0.76 MTNR1A (0.36) MTNR1AMTNR1B
SCHEMBL14756951 0.75 MTNR1A (0.65) MTNR1AMTNR1BHTTKDM4EHSD17B10

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
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-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 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