SCHEMBL8551998

SCHEMBL8551998

Cc1cc(CCCCC2CCNCC2)c2nc(COc3ccc(Cl)cc3)[nH]c2c1C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 18/20 0.49
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8554458 0.86 NPY1R (0.47) NPY1RITGB3ITGA2BNPC1POLB
SCHEMBL8552622 0.85 NPY1R (0.49) NPY1RITGB3ITGA2BNPC1POLB
SCHEMBL8553502 0.84 NPY1R (0.48) NPY1RITGB3ITGA2BNPC1POLB
SCHEMBL8556235 0.84 NPY1R (0.48) NPY1RNPC1POLBRAB9ASMN1; SMN2
SCHEMBL8550284 0.83 NPY1R (0.47) NPY1RITGB3ITGA2BNPC1POLB
SCHEMBL8554215 0.81 NPY1R (0.49) NPY1RNPC1POLBRAB9ASMN1; SMN2
SCHEMBL8552560 0.77 NPY1R (0.45) NPY1RITGB3ITGA2BNPC1POLB
SCHEMBL8553288 0.76 NPY1R (0.53) NPY1R
SCHEMBL8555610 0.75 NPY1R (0.42) NPY1RITGB3ITGA2BNPC1POLB
SCHEMBL8555992 0.74 NPY1R (0.51) NPY1R

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