SCHEMBL7533558

SCHEMBL7533558

CN1CCN(CCCN2c3ccccc3Sc3ccc(F)cc32)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.78
MAPT P10636 7/20 0.74
MAPK1 P28482 7/20 0.74
LMNA P02545 7/20 0.74
CYP3A4 P08684 7/20 0.74
TP53 P04637 6/20 0.74
HTR1A P08908 6/20 0.74
ADRA2A P08913 6/20 0.74
DRD2 P14416 6/20 0.74
ADRA2C P18825 6/20 0.74
SLC6A2 P23975 6/20 0.74
HTR2A P28223 6/20 0.74
SLC6A4 P31645 6/20 0.74
ADRA1A P35348 6/20 0.74
HRH1 P35367 6/20 0.74
DRD3 P35462 6/20 0.74
SLC6A3 Q01959 6/20 0.74
KCNH2 Q12809 6/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
CHRM1 P11229 5/20 0.74

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
SCHEMBL13393401 0.93 KDM1A (0.77) KDM1AMAPTMAPK1LMNACYP3A4
SCHEMBL13284404 0.89 LMNA (0.75) KDM1AMAPTMAPK1LMNACYP3A4
Perazine SCHEMBL147165 0.88 KDM1A (1.00) KDM1AMAPTMAPK1LMNACYP3A4
Perazine SCHEMBL29390464 0.88 KDM1A (1.00) KDM1AMAPTMAPK1LMNACYP3A4
SCHEMBL31673760 0.87 KDM1A (0.80) KDM1AMAPTMAPK1LMNACYP3A4
SCHEMBL20412078 0.87 KDM1A (0.80) KDM1AMAPTMAPK1LMNACYP3A4
Perazine SCHEMBL6644457 0.87 KDM1A (0.97) KDM1AMAPTMAPK1LMNACYP3A4
Perazine SCHEMBL2237726 0.87 KDM1A (0.97) KDM1AMAPTMAPK1LMNACYP3A4
SCHEMBL2615404 0.86 KDM1A (0.80) KDM1AMAPTMAPK1LMNACYP3A4
SCHEMBL6859184 0.86 KDM1A (0.94) KDM1AMAPTMAPK1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010081036-A2 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-15 WO disclosed
WO-2002022130-A2 MEANS FOR REGULATING IMMUNE DEFENCES INSTITUT NECKER (FR) 2002-03-21 WO disclosed