SCHEMBL8553989

SCHEMBL8553989

Cc1c(CCCO)ccc2[nH]c(COc3ccc(Cl)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
NPC1 O15118 6/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FFAR4 Q5NUL3 1/20 0.37
DGAT2 Q96PD7 1/20 0.35
LMNA P02545 4/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TP53 P04637 2/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL8554128 0.97 RAB9A (0.46) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8555194 0.89 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8551098 0.88 RAB9A (0.45) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8552595 0.86 RAB9A (0.42) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8556079 0.84 RAB9A (0.55) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8551977 0.84 RAB9A (0.49) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8557031 0.83 RAB9A (0.46) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8554426 0.83 RAB9A (0.42) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8554215 0.82 NPY1R (0.49) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8550273 0.81 RAB9A (0.42) RAB9ASMN1; SMN2NPC1POLBTDP1

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