SCHEMBL7834635

SCHEMBL7834635

CNS(=O)(=O)c1ccc(Br)cc1C1CCN(c2ccccc2)C(=C=O)C1OC

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
SLC9A3 P48764 1/20 0.32
LMNA P02545 1/20 0.31
ROCK2 O75116 2/20 0.31
DRD2 P14416 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
FPR1 P21462 1/20 0.30
FPR2 P25090 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
ULK1 O75385 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL7669583 0.81 ROCK2 (0.32) HTTROCK2FPR1FPR2
SCHEMBL7676507 0.71 HHAT (0.30)
SCHEMBL7832283 0.62 SMN1; SMN2 (0.49) HTT
SCHEMBL7831268 0.61 HTR6 (0.42) MAPT
SCHEMBL21090809 0.60 MAPT (0.42) MAPTLMNA
SCHEMBL15546364 0.58 SMN1; SMN2 (0.69)
SCHEMBL2372357 0.56 CA1 (0.58) MAPTLMNA
SCHEMBL22827685 0.55 MAPT (0.46) MAPT
SCHEMBL7817796 0.55 HTR6 (0.43) MAPT
SCHEMBL12078553 0.55 HSD11B1 (0.44) MAPTLMNA

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-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed