SCHEMBL22353000

SCHEMBL22353000

N=C(N)NC(N)NCCc1cccc(O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.39
MTNR1A P48039 1/20 0.35
MPO P05164 5/20 0.34
ADRB2 P07550 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
CA2 P00918 2/20 0.31
ADAMTS4 O75173 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31
CA1 P00915 1/20 0.31
LMNA P02545 1/20 0.31
FYN P06241 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MMP8 P22894 1/20 0.31
CA6 P23280 1/20 0.31
CDK2 P24941 1/20 0.31
MMP12 P39900 1/20 0.31

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
SCHEMBL21556903 0.79 IAPP (0.45) IAPPMTNR1AMPOTAAR1CA2
SCHEMBL14868503 0.74 IAPP (0.41) IAPPMTNR1AMPOTAAR1CA2
SCHEMBL1036007 0.73 IAPP (0.50) IAPPMPOADRB2CA2ADAMTS4
SCHEMBL22353005 0.73 IAPP (0.35) IAPP
SCHEMBL14868428 0.70 IAPP (0.41) IAPPMTNR1AMPOCA2CA1
SCHEMBL22353010 0.69 IAPP (0.34) IAPPCA2CA1CA12
SCHEMBL14868471 0.69 IAPP (0.39) IAPPMTNR1AMPO
SCHEMBL4827827 0.68 PIM1 (0.41) IAPPMTNR1ACA2ADAMTS4ALDH1A1
SCHEMBL2468728 0.68 HTR2A (0.56) IAPPMPOTAAR1CA2ADAMTS4
SCHEMBL19710395 0.66 ESR2 (0.47) IAPPMTNR1AALDH1A1LMNAHSD17B10

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-2800561-B1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMA US LLC (US) 2020-08-19 EP disclosed