SCHEMBL7800966

SCHEMBL7800966

CCOc1nc2ccccc2nc1NC(=O)N1CCN(c2cccc(C)c2C)CC1.CCOc1nc2ccccc2nc1NC(=O)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
MAPT P10636 6/20 0.50
TSHR P16473 4/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
STS P08842 1/20 0.45
CA9 Q16790 1/20 0.45
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL6560540 0.92 NPC1 (0.59) NPC1MAPTTSHRLMNAKMT2A
SCHEMBL7803121 0.90 MAPT (0.43) MAPTKMT2AMEN1HTTNPSR1
SCHEMBL7803067 0.89 MAPT (0.51) MAPTTSHRKMT2AMEN1HTT
SCHEMBL7804711 0.83 MAPT (0.43) MAPTTSHRLMNAKMT2ANPSR1
SCHEMBL7803529 0.83 CCKAR (0.43) MAPTLMNAKMT2AMEN1HTT
SCHEMBL6562222 0.81 MAPT (0.47) MAPTLMNAKMT2AMEN1HTT
SCHEMBL6562673 0.80 MAPT (0.58) MAPTTSHRKMT2AMEN1HTT
SCHEMBL6561366 0.80 KDM4E (0.54) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL7804699 0.79 MAPT (0.49) NPC1MAPTTSHRLMNAKMT2A
SCHEMBL7800642 0.79 PDGFRB (0.39) MAPTTSHRLMNAKMT2ANPSR1

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-1075469-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-02-14 EP disclosed
WO-2000052001-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-09-08 WO disclosed