SCHEMBL7316735

SCHEMBL7316735

O=C(O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
SLC6A3 Q01959 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACE P12821 1/20 0.39
CYP1A2 P05177 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
SCHEMBL7316081 1.00 HPGD (0.49) HPGDKMT2ALMNAMEN1HTT
SCHEMBL7359827 0.84 KLK5 (0.55) HPGDACE
SCHEMBL10592904 0.81 KLK5 (0.54) SLC6A3ACE
SCHEMBL7363045 0.77 HPGD (0.45) HPGDKMT2ALMNAMEN1HTT
SCHEMBL5431141 0.76 KDM4E (0.50) HPGDKMT2ALMNAMEN1ALDH1A1
SCHEMBL5431147 0.76 KDM4E (0.50) HPGDKMT2ALMNAMEN1ALDH1A1
SCHEMBL7298274 0.75 HPGD (0.37) HPGDKMT2ALMNAMEN1HTT
SCHEMBL7317655 0.75 HPGD (0.37) HPGDKMT2ALMNAMEN1HTT
SCHEMBL7276779 0.74 LMNA (0.44) HPGDLMNATDP1CYP1A2
SCHEMBL10590526 0.73 SLC6A3 (0.42) HPGDKMT2ALMNAMEN1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed
US-5189023-A Hypotensive agent AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed