SCHEMBL8553401

SCHEMBL8553401

CCOC(=O)C(C)CCc1ccc2[nH]c(COc3ccc(Cl)cc3)nc2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 5/20 0.38
DGAT2 Q96PD7 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 4/20 0.36
PTPN11 Q06124 1/20 0.36
HPGD P15428 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
ALOX5 P09917 1/20 0.34
ABCB11 O95342 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
SCHEMBL8550273 0.90 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TDP1POLB
SCHEMBL8552889 0.90 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TDP1POLB
SCHEMBL8552242 0.90 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TDP1POLB
SCHEMBL8552916 0.88 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TDP1POLB
SCHEMBL8553406 0.88 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TDP1POLB
SCHEMBL8554547 0.85 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TDP1POLB
SCHEMBL8552595 0.85 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TDP1POLB
SCHEMBL8556171 0.84 NPY1R (0.45) DGAT2MAOAMAOB
SCHEMBL8556024 0.82 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TDP1POLB
SCHEMBL8553139 0.82 DGAT2 (0.39) DGAT2

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