SCHEMBL19954668

SCHEMBL19954668

CCc1cc(C(F)(F)F)nn1C1CCNC(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.36
MAPK1 P28482 1/20 0.33
NR3C2 P08235 2/20 0.33
PDE4B Q07343 2/20 0.32
PDE3A Q14432 2/20 0.32
TGFBR1 P36897 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
AR P10275 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SLC5A1 P13866 1/20 0.31
GRIA2 P42262 1/20 0.31
MAP3K12 Q12852 1/20 0.31
TACR1 P25103 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL21023766 0.84 PLAT (0.38) PLATMAPK1NR3C2PDE4BPDE3A
SCHEMBL19954572 0.81 MAPK1 (0.36) PLATMAPK1NR3C2PDE4BPDE3A
SCHEMBL21024103 0.77 TRPV1 (0.42) NR3C2PDE4BTGFBR1TRPV1LRRK2
SCHEMBL21023833 0.77 TRPV1 (0.40) NR3C2PDE4BTGFBR1TRPV1GRIA2
SCHEMBL19954622 0.74 GAA (0.37) NR3C2TGFBR1TRPV1IRAK4LRRK2
SCHEMBL19954551 0.72 TRPV1 (0.35) NR3C2TGFBR1TRPV1GRIA2LRRK2
SCHEMBL19954609 0.70 TRPV1 (0.42) NR3C2TRPV1ARGRIA2LRRK2
SCHEMBL21023570 0.69 NR3C2 (0.38) NR3C2TRPV1
SCHEMBL19954602 0.68 AR (0.41) TRPV1ARGRIA2LRRK2
SCHEMBL19954640 0.67 CCNT1 (0.36) NR3C2TGFBR1TRPV1

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
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 US disclosed