SCHEMBL21234366

SCHEMBL21234366

c1cc(-c2cnncc(-c3ccc(OCCN4CCCCC4)cc3)c[nH]c2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.60
HRH3 Q9Y5N1 6/20 0.59
PRKAB2 O43741 2/20 0.59
PRKAG1 P54619 2/20 0.59
PRKAA2 P54646 2/20 0.59
PRKAA1 Q13131 2/20 0.59
PRKAG3 Q9UGI9 2/20 0.59
PRKAG2 Q9UGJ0 2/20 0.59
PRKAB1 Q9Y478 2/20 0.59
BMPR1B O00238 1/20 0.59
LCK P06239 1/20 0.59
YES1 P07947 1/20 0.59
THRB P10828 1/20 0.59
BMP4 P12644 1/20 0.59
SRC P12931 1/20 0.59
FLT1 P17948 1/20 0.59
EIF2AK2 P19525 1/20 0.59
EPHA2 P29317 1/20 0.59
KDR P35968 1/20 0.59
BMPR1A P36894 1/20 0.59

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
SCHEMBL12050716 0.82 HRH3 (0.82) LTA4HHRH3KCNH2HRH1
SCHEMBL18837471 0.80 LTA4H (0.84) LTA4HHRH3PTGS2PSMB1PSMB5
SCHEMBL25059331 0.78 LTA4H (0.87) LTA4HHRH3PTGS2PSMB1PSMB5
SCHEMBL21585115 0.78 FLT1 (0.64) LTA4HHRH3PRKAB2PRKAG1PRKAA2
SCHEMBL22829521 0.75 BMP4 (0.76) LTA4HHRH3PRKAB2PRKAG1PRKAA2
Dorsomorphin SCHEMBL463155 0.74 KDR (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16965384 0.74 KDR (0.56) LTA4HHRH3PRKAB2PRKAG1PRKAA2
SCHEMBL14970484 0.74 LTA4H (0.97) LTA4HHRH3KCNH2PSMB1PSMB5
Dorsomorphin SCHEMBL17845800 0.74 KDR (0.98) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7139563 0.73 LTA4H (1.00) LTA4HHRH3PSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3521419-A1 METHOD FOR PRODUCING SOMATIC CELL, SOMATIC CELL, AND COMPOSITION Kyoto Prefectural Public University Corporation (JP) 2019-08-07 EP disclosed