SCHEMBL29508149

SCHEMBL29508149

Fc1cc(Br)ccc1N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.55
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
CCR5 P51681 1/20 0.49
PDE3B Q13370 4/20 0.47
PDE3A Q14432 4/20 0.47
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3122343 1.00 SLC6A5 (0.55) SLC6A5HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2795825 0.86 CCR5 (0.52) SLC6A5HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL25715170 0.83 ALDH1A1 (0.56) SLC6A5HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL17531636 0.81 ALDH1A1 (0.54) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL28218777 0.81 SMN1; SMN2 (0.55) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL13718469 0.80 MAPT (0.64) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL27678160 0.80 SLC6A5 (0.43) SLC6A5HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL29173362 0.79 CCR5 (0.47) SLC6A5HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27452092 0.79 SMN1; SMN2 (0.45) SLC6A5HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7057959 0.79 NCF1 (0.51) HPGDSMN1; SMN2ALDH1A1LMNAHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237088-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF Blueprint Medicines Corporation (US) 2023-09-06 EP disclosed
CN-114891070-A Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-08-12 CN disclosed
WO-2022094355-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 WO disclosed
CN-107835818-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 CN disclosed
CN-106928162-B Synthesis method of substituted N-phenyl morpholine compound 韶远科技(上海)有限公司 2022-04-08 CN disclosed