SCHEMBL5779926

SCHEMBL5779926

COC(=O)CCc1cc2cc[c]cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.41
MTNR1B P49286 5/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
EGFR P00533 3/20 0.39
SRC P12931 1/20 0.38
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
PIN1 Q13526 1/20 0.33

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
SCHEMBL5780813 0.90 MTNR1A (0.42) MTNR1AMTNR1BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5775364 0.86 KDM4E (0.39) MTNR1AMTNR1BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9108723 0.80 MTNR1A (0.61) MTNR1AMTNR1BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5779606 0.78 MTNR1A (0.67) MTNR1AMTNR1BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5778938 0.78 MTNR1A (0.40) MTNR1AMTNR1BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16240166 0.78 MTNR1A (0.49) MTNR1AMTNR1BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7064423 0.76 ADORA1 (0.38) MTNR1AMTNR1BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5778197 0.76 DAO (0.38) MTNR1AMTNR1B
SCHEMBL5777259 0.76 SMN1; SMN2 (0.40) MTNR1AMTNR1BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5777282 0.76 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD

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
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
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