SCHEMBL8554547

SCHEMBL8554547

CCOC(=O)C(CCc1ccc2[nH]c(COc3ccc(Cl)cc3)nc2c1C)Cc1ccccc1

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
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 1/20 0.39
PTGS2 P35354 1/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRMT5 O14744 3/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL8552015 0.92 RAB9A (0.43) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8556190 0.89 RAB9A (0.40) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8553401 0.85 RAB9A (0.41) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552384 0.84 NPY1R (0.39) L3MBTL1EPHX2
SCHEMBL8550273 0.81 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8557639 0.81 L3MBTL1 (0.38) L3MBTL1PRMT5EPHX2
Hydrochloric Acid SCHEMBL8551974 0.81 RAB9A (0.41) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552782 0.80 ADAMTS5 (0.43) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552889 0.80 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552595 0.80 RAB9A (0.42) 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