SCHEMBL6992423

SCHEMBL6992423

O=C(c1ccccc1)c1ccc2c(c1)CC(C(=O)Nc1cc(-c3ccncc3)[nH]n1)C2

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 0.68
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.45
USP30 Q70CQ3 1/20 0.45
EIF2AK2 P19525 1/20 0.42

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
SCHEMBL6997112 0.88 NPY5R (0.78) NPY5RNPC1RAB9A
SCHEMBL6993101 0.88 NPY5R (0.84) NPY5RNPC1RAB9AUSP30
SCHEMBL6991821 0.84 NPY5R (0.76) NPY5RNPC1RAB9AUSP30
SCHEMBL6992705 0.81 NPY5R (0.67) NPY5RNPC1RAB9AMAPTUSP30
SCHEMBL6990465 0.80 NPY5R (0.95) NPY5RNPC1RAB9AMAPTUSP30
SCHEMBL6992792 0.78 NPY5R (0.71) NPY5RNPC1RAB9AUSP30
SCHEMBL6992676 0.78 NPY5R (1.00) NPY5RUSP30
SCHEMBL6991924 0.77 NPY5R (0.88) NPY5RNPC1RAB9AMAPTUSP30
SCHEMBL6996444 0.76 NPY5R (0.86) NPY5RUSP30
SCHEMBL6995360 0.76 NPY5R (0.78) NPY5RNPC1RAB9AUSP30

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