SCHEMBL9537649

SCHEMBL9537649

CN1CCN(C(N)=Nc2c(F)cccc2-c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
CHRM3 P20309 1/20 0.37
CHEK1 O14757 1/20 0.37
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL9059154 0.86 POLB (0.40) POLBL3MBTL1KDM4EHRH4CHRM3
SCHEMBL9537404 0.84 SIGMAR1 (0.39) L3MBTL1CHRM3CHEK1KMT2AMAPT
SCHEMBL9059786 0.80 SIGMAR1 (0.46) POLBL3MBTL1KDM4EKMT2AMAPT
SCHEMBL9059413 0.77 SIGMAR1 (0.42) KDM1AMAOAMAOBL3MBTL1KMT2A
SCHEMBL9059335 0.76 MET (0.39) POLBL3MBTL1KDM4EHRH4CHRM3
SCHEMBL9059945 0.76 POLB (0.38) POLBKDM1AMAOAMAOBL3MBTL1
SCHEMBL9059864 0.75 SIGMAR1 (0.40) KDM1AMAOAMAOBL3MBTL1CHRM3
SCHEMBL9537980 0.74 SIGMAR1 (0.47) POLBKDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL8395262 0.73 SIGMAR1 (0.50) POLBKDM4EKMT2ANPC1MAPT
SCHEMBL9059169 0.72 POLB (0.39) POLBL3MBTL1KDM4ECHRM3CHEK1

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-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed