SCHEMBL8609907

SCHEMBL8609907

CCC(C)[C@@H]1NCCN(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 17/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL27447357 1.00 GHSR (0.40) GHSRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL20753991 0.83 PLA2G10 (0.35) GHSR
SCHEMBL3329497 0.83 PLA2G10 (0.35) GHSR
SCHEMBL12260342 0.80 GHSR (0.36) GHSRALDH1A1POLBGAAKDM4E
SCHEMBL16409088 0.72 KDM4E (0.38) GHSRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21815505 0.72 SLC6A2 (0.42) ALDH1A1CYP2C9CYP2C19
SCHEMBL10842751 0.71 EP300 (0.38) GHSRCYP3A4CYP2C9CYP2C19GAA
SCHEMBL22853606 0.71
SCHEMBL14275151 0.69 GHSR (0.38) GHSRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL531779 0.69

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
CN-1057269-A Peptide compounds and preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-25 CN disclosed