SCHEMBL8554426

SCHEMBL8554426

Cc1c(CCCN(C)CCCCCCCN(C)C)ccc2[nH]c(COc3ccc(Cl)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 4/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRL1 P41146 1/20 0.37
SLC6A4 P31645 4/20 0.36
ACHE P22303 1/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CCR4 P51679 1/20 0.33
MBTD1 Q05BQ5 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8553989 0.83 RAB9A (0.47) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8555194 0.83 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8554128 0.82 RAB9A (0.46) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8551098 0.80 RAB9A (0.45) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8552595 0.80 RAB9A (0.42) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8551414 0.80 RAB9A (0.42) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8557031 0.78 RAB9A (0.46) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8550284 0.77 NPY1R (0.47) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8554215 0.76 NPY1R (0.49) RAB9ASMN1; SMN2NPC1POLBTDP1
SCHEMBL8554129 0.76 BCHE (0.48) 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