SCHEMBL5779606

SCHEMBL5779606

CC(=O)NCCc1cc2cc[c]cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.67
MTNR1B P49286 8/20 0.67
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
QPCT Q16769 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
HPGD P15428 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PTGS1 P23219 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL5777826 0.90 MTNR1A (0.68) MTNR1AMTNR1BKDM4EHSD17B10SMN1; SMN2
SCHEMBL2629360 0.80 MTNR1A (1.00) MTNR1AMTNR1BHTTCYP1A2LMNA
SCHEMBL5779926 0.78 MTNR1A (0.41) MTNR1AMTNR1BKDM4EHSD17B10SMN1; SMN2
SCHEMBL5778938 0.78 MTNR1A (0.40) MTNR1AMTNR1BKDM4EHSD17B10SMN1; SMN2
SCHEMBL7064423 0.76 ADORA1 (0.38) MTNR1AMTNR1BKDM4EHSD17B10SMN1; SMN2
SCHEMBL5775364 0.75 KDM4E (0.39) MTNR1AMTNR1BKDM4EHSD17B10SMN1; SMN2
SCHEMBL31543680 0.75 MTNR1A (0.70) MTNR1AMTNR1BKDM4EHSD17B10SMN1; SMN2
SCHEMBL14756951 0.74 MTNR1A (0.65) MTNR1AMTNR1BKDM4EHSD17B10SMN1; SMN2
SCHEMBL6028297 0.74 CTSV (0.39) MTNR1AMTNR1BKMT2A
SCHEMBL8146071 0.73 LOXL2 (0.35) MTNR1AMTNR1BKDM4EALDH1A1MAPT

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