SCHEMBL8556818

SCHEMBL8556818

Clc1ccc(OCc2nc3c(CCCBr)c(Cl)c(Cl)cc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RHEB Q15382 5/20 0.38
KMT2A Q03164 2/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TP53 P04637 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL8555586 0.89 RAB9A (0.47) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8556967 0.86 RAB9A (0.49) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8555784 0.86 RAB9A (0.46) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8551888 0.83 NPY1R (0.48) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8554085 0.79 NPY1R (0.49) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8555194 0.78 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8556385 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8551977 0.75 RAB9A (0.49) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8556128 0.75 RAB9A (0.46) RAB9ANPC1SMN1; SMN2POLBTDP1
Trifluoroacetic Acid SCHEMBL8552498 0.73 NPY1R (0.44)

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-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed