SCHEMBL21170840

SCHEMBL21170840

N=Cc1cc(Br)cnc1N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 0.69
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
PRNP P04156 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
PPARG P37231 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2213799 0.84 OPRK1 (0.56) OPRK1HTTLMNAPRNPMAPT
SCHEMBL16944615 0.82 OPRK1 (1.00) OPRK1
SCHEMBL6103100 0.82 OPRK1 (0.54) OPRK1HTTLMNAPRNPMAPT
SCHEMBL21170839 0.80 OPRK1 (0.74) OPRK1
SCHEMBL18994669 0.76 OPRK1 (0.59) OPRK1
SCHEMBL31195809 0.75 HTT (0.43) OPRK1HTTLMNAPRNPMAPT
SCHEMBL2711135 0.75 HTT (0.43) OPRK1HTTLMNAPRNPMAPT
SCHEMBL17316555 0.73 HTT (0.41) OPRK1HTTLMNAPRNPMAPT
SCHEMBL21171821 0.72 OPRK1 (0.59) OPRK1
SCHEMBL21170914 0.71 OPRK1 (0.51) OPRK1HTTLMNAPRNPMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2884978-B1 NOVEL KAPPA OPIOID LIGANDS SCRIPPS RESEARCH INST (US) 2019-07-17 EP disclosed