SCHEMBL16655737

SCHEMBL16655737

O=C(O)N1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 6/20 0.59
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
PKM P14618 1/20 0.45
GRM5 P41594 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5368547 0.84 L3MBTL1 (0.49) SLC6A7L3MBTL1MEN1KMT2AKDM4E
SCHEMBL31589397 0.84 HTR1A (0.52) SLC6A7L3MBTL1MEN1KMT2AKDM4E
SCHEMBL22527481 0.83 L3MBTL1 (0.57) SLC6A7L3MBTL1MEN1KMT2AKDM4E
SCHEMBL6644278 0.80 GPR119 (0.68) SLC6A7GPR119
SCHEMBL5237158 0.80 KMT2A (0.68) SLC6A7MEN1KMT2AKDM4EALDH1A1
SCHEMBL21553750 0.76 POLB (0.45) SLC6A7L3MBTL1MEN1KMT2AKDM4E
SCHEMBL7090347 0.76 GPR119 (0.62) SLC6A7GPR119
SCHEMBL6644916 0.75 LMNA (0.56) SLC6A7KMT2AKDM4EALDH1A1PKM
SCHEMBL3409601 0.75 PIK3CA (0.54) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL6787637 0.75 HTR7 (0.54) SLC6A7KDM4EALDH1A1TSHRHSD17B10

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-3057969-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT Blueprint Medicines Corporation (US) 2016-08-24 EP disclosed
WO-2015057873-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 WO disclosed