SCHEMBL8554085

SCHEMBL8554085

Clc1ccc(OCc2nc3c(CCCC4CCCNC4)c(Cl)c(Cl)cc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 18/20 0.49
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACP1 P24666 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
Trifluoroacetic Acid SCHEMBL8552498 0.92 NPY1R (0.44) NPY1R
SCHEMBL8554205 0.90 NPY1R (0.39) NPY1RNPC1RAB9AACP1
SCHEMBL8554219 0.89 NPY1R (0.51) NPY1RNPC1POLBRAB9ASMN1; SMN2
SCHEMBL8550720 0.89 NPY1R (0.53) NPY1R
SCHEMBL8555992 0.85 NPY1R (0.51) NPY1R
SCHEMBL8553094 0.84 NPY1R (0.50) NPY1RACP1
SCHEMBL8553363 0.83 NPY1R (0.48) NPY1RACP1
SCHEMBL8554556 0.82 NPY1R (0.51) NPY1R
SCHEMBL8554871 0.80 NPY1R (0.50) NPY1RNPC1POLBRAB9ASMN1; SMN2
SCHEMBL8551284 0.80 NPY1R (0.50) NPY1RNPC1POLBRAB9ASMN1; SMN2

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