SCHEMBL23770664

SCHEMBL23770664

Cc1ccccc1-c1nc(NSc2cccc(N3CCCCC3)n2)ccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.36
PDE10A Q9Y233 2/20 0.36
CNR2 P34972 2/20 0.35
KDM4E B2RXH2 6/20 0.34
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
GALR2 O43603 2/20 0.33
GALR1 P47211 2/20 0.33
TACR1 P25103 2/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL23770433 0.99 PDE10A (0.36) NPY5RPDE10ACNR2KDM4ETDP1
SCHEMBL23770859 0.91 CYP1A2 (0.44) CNR2KDM4ETDP1ALDH1A1HSD17B10
SCHEMBL23770663 0.91 CYP1A2 (0.43) KDM4ETDP1ALDH1A1HSD17B10CYP1A2
SCHEMBL23770653 0.91 CNR2 (0.40) CNR2ALDH1A1CYP1A2TSHRCYP3A4
SCHEMBL23770840 0.90 KDM4E (0.35) KDM4ETDP1ALDH1A1HSD17B10CYP1A2
SCHEMBL23770452 0.89 PDE10A (0.34) NPY5RPDE10ACNR2KDM4ETDP1
SCHEMBL23770725 0.89 CYP1A2 (0.37) KDM4ETDP1ALDH1A1HSD17B10CYP1A2
SCHEMBL23770694 0.89 GALR2 (0.40) NPY5RPDE10ACNR2KDM4ETDP1
SCHEMBL23770592 0.89 ADORA2A (0.32)
SCHEMBL23770647 0.88 KDM4E (0.33) PDE10ACNR2KDM4ETDP1ALDH1A1

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-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed