SCHEMBL2013361

SCHEMBL2013361

O=CCc1cc(Cl)c2cccnc2c1N1CCN(C2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.43
DRD4 P21917 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
HTR2A P28223 1/20 0.41
LMNA P02545 5/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
NOD2 Q9HC29 1/20 0.40
ACHE P22303 2/20 0.39
NPC1 O15118 2/20 0.39
DRD2 P14416 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
SCHEMBL2013576 0.97 METAP2 (0.42) METAP2DRD4HTR1AADRA2AHTR2A
SCHEMBL2014016 0.95 MAPT (0.41) METAP2LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL2017390 0.85 METAP2 (0.44) METAP2DRD4HTR1AADRA2AHTR2A
SCHEMBL2013524 0.85 HTR1A (0.42) DRD4HTR1AADRA2AHTR2ALMNA
SCHEMBL2013917 0.84 METAP2 (0.43) METAP2LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL2015675 0.82 METAP2 (0.43) METAP2DRD4HTR1AADRA2AHTR2A
SCHEMBL2013450 0.82 IDE (0.45) METAP2LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL2011899 0.81 ALDH1A1 (0.44) METAP2LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL2016552 0.81 METAP2 (0.43) METAP2HTR2ALMNAKDM4EMAPT
SCHEMBL2012631 0.81 MAPT (0.40) METAP2LMNAKDM4EMAPTSMN1; SMN2

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
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed