SCHEMBL8551098

SCHEMBL8551098

Cc1c(CCCC(=O)O)ccc2[nH]c(COc3ccc(Cl)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FFAR1 O14842 4/20 0.41
FFAR4 Q5NUL3 13/20 0.41
DGAT2 Q96PD7 1/20 0.38

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
SCHEMBL8552595 0.89 RAB9A (0.42) RAB9ANPC1POLBSMN1; SMN2TDP1
SCHEMBL8553989 0.88 RAB9A (0.47) RAB9ANPC1POLBSMN1; SMN2TDP1
SCHEMBL8554128 0.87 RAB9A (0.46) RAB9ANPC1POLBSMN1; SMN2TDP1
SCHEMBL8555194 0.86 SMN1; SMN2 (0.47) RAB9ANPC1POLBSMN1; SMN2TDP1
SCHEMBL8550273 0.85 RAB9A (0.42) RAB9ANPC1POLBSMN1; SMN2TDP1
SCHEMBL8557031 0.83 RAB9A (0.46) RAB9ANPC1POLBSMN1; SMN2TDP1
SCHEMBL8552889 0.83 RAB9A (0.42) RAB9ANPC1POLBSMN1; SMN2TDP1
SCHEMBL8552242 0.82 RAB9A (0.42) RAB9ANPC1POLBSMN1; SMN2TDP1
SCHEMBL8553401 0.81 RAB9A (0.41) RAB9ANPC1POLBSMN1; SMN2TDP1
SCHEMBL8553406 0.81 RAB9A (0.40) RAB9ANPC1POLBSMN1; SMN2TDP1

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