SCHEMBL7205515

SCHEMBL7205515

[CH2]C(C)NCc1cnc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CYP1A2 P05177 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.43
PDE10A Q9Y233 7/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
ATG4B Q9Y4P1 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
TPH1 P17752 1/20 0.39

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
SCHEMBL12890740 0.88 KDM1A (0.50) KDM1AMAOAMAOBCYP1A2SIRT2
SCHEMBL14315379 0.82 SMN1; SMN2 (0.50) KDM1AMAOAMAOBCYP1A2SIRT2
SCHEMBL25228350 0.81 KDM1A (0.45) KDM1AMAOAMAOBCYP1A2SIRT2
SCHEMBL2458989 0.79 SMN1; SMN2 (0.54) KDM1AMAOAMAOBCYP1A2SIRT2
SCHEMBL1094558 0.79 KDM1A (0.54) KDM1AMAOAMAOBCYP1A2PDE10A
SCHEMBL6703238 0.79 KDM1A (0.54) KDM1AMAOAMAOBCYP1A2PDE10A
SCHEMBL2461025 0.78 CASR (0.52) KDM1AMAOAMAOBCYP1A2PDE10A
SCHEMBL3345872 0.78 CASR (0.52) KDM1AMAOAMAOBCYP1A2PDE10A
SCHEMBL22779486 0.76 KDM1A (0.51) KDM1AMAOAMAOBCYP1A2PDGFRB
SCHEMBL6154350 0.76 KDM1A (0.51) KDM1AMAOAMAOBCYP1A2PDE10A

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
EP-1343798-A1 6-O-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-17 EP disclosed
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO disclosed