SCHEMBL8556967

SCHEMBL8556967

Clc1ccc(OCc2nc3c(CCCBr)c(Cl)ccc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.49
NPC1 O15118 7/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 4/20 0.38
DGAT2 Q96PD7 1/20 0.36
TP53 P04637 3/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 3/20 0.35
HTT P42858 3/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 1/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL8551977 0.88 RAB9A (0.49) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8556818 0.86 RAB9A (0.47) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8555194 0.84 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8555784 0.83 RAB9A (0.46) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8556385 0.81 RAB9A (0.55) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8554219 0.78 NPY1R (0.51) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7690658 0.75 RAB9A (0.56) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8555586 0.75 RAB9A (0.47) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8553989 0.73 RAB9A (0.47) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL7689804 0.73 RAB9A (0.63) RAB9ANPC1SMN1; SMN2POLBTDP1

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