SCHEMBL8552015

SCHEMBL8552015

Cc1c(CCC(Cc2ccccc2)C(=O)O)ccc2[nH]c(COc3ccc(Cl)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 1/20 0.42
PPARG P37231 8/20 0.38
PTGES O14684 3/20 0.38
ALOX5 P09917 3/20 0.38
PPARA Q07869 5/20 0.38
GPR34 Q9UPC5 1/20 0.37
RECQL P46063 1/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
MME P08473 1/20 0.36

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
SCHEMBL8554547 0.92 RAB9A (0.41) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8556190 0.92 RAB9A (0.40) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8550273 0.85 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8555678 0.85 NPY1R (0.45)
Hydrochloric Acid SCHEMBL8551974 0.83 RAB9A (0.41) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552782 0.82 ADAMTS5 (0.43) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552889 0.82 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552242 0.81 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8551098 0.80 RAB9A (0.45) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8553401 0.80 RAB9A (0.41) 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