SCHEMBL27683033

SCHEMBL27683033

COc1cccc(OC)c1CCNC(=N)c1cc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.53
MTNR1A P48039 4/20 0.51
MTNR1B P49286 4/20 0.51
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.49
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
DRD4 P21917 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL3928684 0.88 FLT3 (0.52) FLT3MTNR1AMTNR1BRAB9ANPC1
SCHEMBL27682865 0.87 FLT3 (0.46) FLT3RAB9ANPC1POLBDRD3
SCHEMBL27663292 0.86 NPC1 (0.46) FLT3RAB9ANPC1POLBKDM4E
SCHEMBL6661201 0.76 FLT3 (0.58) FLT3MTNR1AMTNR1BRAB9ANPC1
SCHEMBL3924095 0.75 FLT3 (0.47) FLT3DRD3DRD4KDM4EALDH1A1
SCHEMBL3923810 0.75 KDM4E (0.53) FLT3RAB9ANPC1KDM4EMEN1
SCHEMBL3935357 0.74 MEN1 (0.47) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL27683032 0.74 FLT3 (0.53) FLT3RAB9AKDM4EMEN1ALDH1A1
SCHEMBL6657213 0.72 FLT3 (0.54) FLT3MTNR1AMTNR1BRAB9ANPC1
SCHEMBL3924063 0.71 PDGFRB (0.46) MTNR1AMTNR1BDRD2DRD3KDM4E

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
CN-1989103-A Indole-2-carboxamidine derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZET (HU) 2007-06-27 CN claimed