SCHEMBL8557775

SCHEMBL8557775

Cc1c(CCC(C)CNCc2ccccc2)ccc2[nH]c(COc3ccc(Cl)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
BCHE P06276 4/20 0.41
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 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
Hydrochloric Acid SCHEMBL8551600 0.92 BCHE (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8554129 0.86 BCHE (0.48) RAB9ANPC1SMN1; SMN2POLBTDP1
Hydrochloric Acid SCHEMBL8551426 0.86 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8556024 0.82 RAB9A (0.44) RAB9ANPC1SMN1; SMN2POLBTDP1
Hydrochloric Acid SCHEMBL8551974 0.82 RAB9A (0.41) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8551414 0.81 RAB9A (0.42) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8557953 0.80 BCHE (0.46) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552782 0.80 ADAMTS5 (0.43) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8552015 0.80 RAB9A (0.43) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8550273 0.79 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