SCHEMBL2474958

SCHEMBL2474958

CN[C@@H](Cc1cnc[nH]1)C(=O)OC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.47
▸ EPHX2 P34913 1/20 0.45
▸ EPHX1 P07099 1/20 0.43
▸ HRH4 Q9H3N8 6/20 0.43
▸ HTR3A P46098 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 1/20 0.41

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
SCHEMBL7780241 0.81 CYP3A4 (0.56) HRH3HRH4HTR3A
SCHEMBL13897023 0.81 CYP3A4 (0.49) HRH3HRH4HTR3AITGB2ICAM1
SCHEMBL27756059 0.78 HRH3 (0.51) HRH3EPHX2EPHX1HRH4HTR3A
SCHEMBL2474956 0.76 CYP19A1 (0.39) EPHX1CYP19A1
Phloroglucinol SCHEMBL27988573 0.75 HTR1D (0.46) HRH3HRH4HTR3AITGB2ICAM1
SCHEMBL1641647 0.75 CYP3A4 (0.51) HRH3HRH4ITGB2ICAM1ITGAL
SCHEMBL13979576 0.75 CYP3A4 (0.51) HRH3HRH4ITGB2ICAM1ITGAL
SCHEMBL27043238 0.75 ITGB2 (0.60) HRH3HRH4ITGB2ICAM1ITGAL
SCHEMBL163397 0.75 ITGB2 (0.60) HRH3HRH4ITGB2ICAM1ITGAL
SCHEMBL31326521 0.74 CYP3A4 (0.54) HRH3HRH4ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9511120-B2 Use of the angiotensin-(1-9) peptide or derivatives thereof, use of vectors overexpressing the ACE2 enzyme that produces angiotensin-(1-9) for preparing medicaments useful for preventing, reverting, inhibiting and/or reducing hypertension and/or inducing vasodilation PONTIFICA UNIVERSIDAD CATÓLICA DE CHILE (CL) 2016-12-06 — — US disclosed
US-9132164-B2 Pharmaceutical compositions comprising angiotensin-(1-9), derivatives thereof, or a vector expressing ACE2, useful for treating cardiovascular, pulmonary, cerebral, and/or renal remodeling PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE (CL) 2015-09-15 — — US disclosed
US-20150190472-A1 USE OF THE ANGIOTENSIN-(1-9) PEPTIDE OR DERIVATIVES THEREOF, USE OF VECTORS OVEREXPRESSING THE ACE2 ENZYME THAT PRODUCES ANGIOTENSIN-(1-9) FOR PREPARING MEDICAMENTS USEFUL FOR PREVENTING, REVERTING, INHIBITING AND/OR REDUCING HYPERTENSION AND/OR INDUCING VASODILATION PONTIFICA UNIVERSIDAD CATOLICA DE CHILE (CL) 2015-07-09 — — US disclosed
EP-2377544-B1 PHARMACEUTICAL COMPOSITION CONTAINING ANGIOTENSIN-(1-9) FOR CARDIOVASCULAR, PULMONARY AND/OR CEREBRAL TREATMENT PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE (CL) 2014-10-22 — — EP disclosed
US-20120172301-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING ANGIOTENSIN-(1-9), DERIVATIVES THEREOF, OR A VECTOR EXPRESSING ACE2, USEFUL FOR TREATING CARDIOVASCULAR, PULMONARY, CEREBRAL, AND/OR RENAL REMODELING PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE (CL) 2012-07-05 — — US disclosed
EP-2377544-A2 PHARMACEUTICAL COMPOSITION CONTAINING ANGIOTENSIN-(1-9) FOR CARDIOVASCULAR, PULMONARY AND/OR CEREBRAL TREATMENT Pontificia Universidad Católica De Chile (CL) 2011-10-19 — — EP disclosed
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