SCHEMBL6998436

SCHEMBL6998436

O=C(Nc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)C1Cc2ccccc2C1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.79
FLT3 P36888 1/20 0.47
ROCK1 Q13464 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
USP30 Q70CQ3 1/20 0.45
NR1I2 O75469 1/20 0.45
AHR P35869 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL1119035 0.88 NPY5R (1.00) NPY5RNPC1RAB9AMAPTUSP30
SCHEMBL6992742 0.86 NPY5R (1.00) NPY5RFLT3NPC1RAB9AMAPT
SCHEMBL6990465 0.86 NPY5R (0.95) NPY5RNPC1RAB9AMAPTUSP30
SCHEMBL6993088 0.85 NPY5R (0.76) NPY5RROCK1USP30
SCHEMBL6991924 0.85 NPY5R (0.88) NPY5RNPC1RAB9AMAPTUSP30
SCHEMBL6995372 0.85 NPY5R (1.00) NPY5RMAPTSMN1; SMN2
SCHEMBL6992743 0.84 NPY5R (1.00) NPY5RROCK1NPC1RAB9AUSP30
SCHEMBL6996416 0.84 NPY5R (0.82) NPY5RROCK1NPC1RAB9AUSP30
SCHEMBL6993101 0.82 NPY5R (0.84) NPY5RNPC1RAB9AUSP30
SCHEMBL6976896 0.82 NPY5R (0.54) NPY5RFLT3NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP claimed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP claimed
EP-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP disclosed
US-6057335-A Pyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed