SCHEMBL8615004

SCHEMBL8615004

NC(=O)C1CCC(=O)N1CCNC=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.34
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8613101 0.90 ACE (0.38) P2RX7TSHRUSP2ALDH1A1SMN1; SMN2
SCHEMBL8615391 0.80 ADRA1A (0.43) P2RX7USP2ALDH1A1KMT2A
SCHEMBL8614999 0.79 P2RX7 (0.34) P2RX7TSHRUSP2ALDH1A1SMN1; SMN2
SCHEMBL27537862 0.74 MEN1 (0.49) P2RX7USP2ALDH1A1KMT2A
SCHEMBL20077497 0.73 RORC (0.35) P2RX7TSHRUSP2ALDH1A1KMT2A
SCHEMBL9383119 0.71 ACE (0.36) P2RX7TSHRALDH1A1KMT2A
SCHEMBL9544626 0.71 ACE (0.36) P2RX7TSHRALDH1A1KMT2A
SCHEMBL10561504 0.69 P2RX7 (0.35) P2RX7KMT2A
SCHEMBL8613094 0.69 ACE (0.40) P2RX7TSHRUSP2ALDH1A1SMN1; SMN2
SCHEMBL30684620 0.68 P2RX7 (0.37) P2RX7KMT2A

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