SCHEMBL5183229

SCHEMBL5183229

CCCCCNC(C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.44
DPP7 Q9UHL4 2/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
RRM1 P23921 1/20 0.40
CASP2 P42575 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL7066326 1.00 EPHX1 (0.44) EPHX1DPP7CA1CA2SMN1; SMN2
SCHEMBL24709285 0.98 EPHX1 (0.47) EPHX1DPP7RRM1CASP2MEN1
SCHEMBL29019997 0.98 EPHX1 (0.47) EPHX1DPP7RRM1CASP2MEN1
Hydrochloric Acid SCHEMBL7769070 0.96 EPHX1 (0.46) EPHX1DPP7RRM1CASP2MEN1
SCHEMBL11508997 0.94 ALOX15 (0.43) EPHX1DPP7CA1CA2MEN1
SCHEMBL12827797 0.94 ALOX15 (0.43) EPHX1DPP7CA1CA2MEN1
SCHEMBL3207666 0.85
SCHEMBL6997820 0.85
SCHEMBL31321062 0.85
Iodide SCHEMBL6053667 0.83 SCN1A (0.41) EPHX1CA1CA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556054-A4 ANTAGONIZING NK1 RECEPTORS INHIBITS CONSUMPTION OF SUBSTANCES OF ABUSE UNIV CALIFORNIA (US) 2007-09-05 EP disclosed
US-20060205724-A1 Antagonizing nk-1 receptors inhibits consumption of substances of abuse THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-09-14 US disclosed
EP-1556054-A1 ANTAGONIZING NK1 RECEPTORS INHIBITS CONSUMPTION OF SUBSTANCES OF ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-07-27 EP disclosed
WO-2003101459-A1 ANTAGONIZING NK1 RECEPTORS INHIBITS CONSUMPTION OF SUBSTANCES OF ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-12-11 WO disclosed
US-20020002198-A1 Chemical synergy to elevate growth hormone release in vertebrates PARR TYLER B (US) 2002-01-03 US disclosed
US-5773441-A PRODRUGS; ANIMAL HUSBANDRY ELI LILLY AND COMPANY (US) 1998-06-30 US disclosed
EP-0761220-A1 2-Acylaminopropanamides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP disclosed
US-5565568-A USEFUL IN TREATMENT OR PREVENTION OF A PHYSIOLOGICAL DISORDER ASSOCIATED WITH AN EXCESS OF TACHYKININS ELI LILLY AND COMPANY (US) 1996-10-15 US disclosed