SCHEMBL8557953

SCHEMBL8557953

Cc1c(CCCNCCc2ccccc2)ccc2[nH]c(COc3ccc(Cl)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
DRD3 P35462 4/20 0.39
HTR2A P28223 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ADAMTS4 O75173 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL8554129 0.93 BCHE (0.48) BCHERAB9ANPC1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL8551600 0.86 BCHE (0.42) BCHERAB9ANPC1SMN1; SMN2POLB
SCHEMBL8552782 0.81 ADAMTS5 (0.43) BCHERAB9ANPC1SMN1; SMN2POLB
SCHEMBL8553989 0.81 RAB9A (0.47) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8555194 0.81 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8551098 0.81 RAB9A (0.45) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8557775 0.80 RAB9A (0.42) BCHERAB9ANPC1SMN1; SMN2POLB
SCHEMBL8554128 0.80 RAB9A (0.46) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL8551322 0.79 NPY1R (0.57) DRD2DRD4DRD3
SCHEMBL8551903 0.78 NPY1R (0.54) BCHEDRD2DRD4

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