SCHEMBL8613101

SCHEMBL8613101

O=CNCCN1C(=O)CCC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.38
TSHR P16473 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 9/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 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
SCHEMBL8615004 0.90 P2RX7 (0.34) TSHRUSP2ALDH1A1SMN1; SMN2P2RX7
SCHEMBL8615391 0.81 ADRA1A (0.43) USP2ALDH1A1P2RX7KMT2A
SCHEMBL8613094 0.79 ACE (0.40) ACETSHRUSP2ALDH1A1SMN1; SMN2
SCHEMBL8761596 0.76 P2RX7 (0.46) ACEUSP2ALDH1A1P2RX7KMT2A
Hydrochloric Acid SCHEMBL8895919 0.74 ACE (0.41) ACETSHRUSP2ALDH1A1SMN1; SMN2
SCHEMBL8762017 0.73 MEN1 (0.57) ACEUSP2ALDH1A1P2RX7KMT2A
SCHEMBL29833530 0.73 MEN1 (0.57) ACEUSP2ALDH1A1P2RX7KMT2A
SCHEMBL8898135 0.72 EPHX1 (0.41) USP2ALDH1A1KMT2AMEN1
SCHEMBL24749823 0.72 ACE (0.42) ACEUSP2ALDH1A1SMN1; SMN2P2RX7
SCHEMBL9152263 0.72 MEN1 (0.52) ACEUSP2ALDH1A1P2RX7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed