SCHEMBL21023738

SCHEMBL21023738

CSNC1CCC(n2nc(C(F)(F)F)cc2C(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.34
TGFBR1 P36897 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
NR3C2 P08235 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19105611 0.87 TGFBR1 (0.35) MAP3K12TGFBR1TRPV1NR3C2MEN1
SCHEMBL19954553 0.81 NR3C2 (0.40) MAP3K12TGFBR1TRPV1NR3C2MEN1
SCHEMBL19954663 0.81 NR3C2 (0.38) MAP3K12TGFBR1TRPV1NR3C2MEN1
SCHEMBL19954538 0.81 AR (0.40) TRPV1NR3C2
SCHEMBL19954610 0.81 PDE7A (0.39) TRPV1NR3C2MEN1KMT2A
SCHEMBL19954523 0.80 TGFBR1 (0.35) MAP3K12TGFBR1TRPV1NR3C2MEN1
SCHEMBL19954571 0.80 NR3C2 (0.34) MAP3K12TGFBR1TRPV1NR3C2
SCHEMBL21024127 0.80 NR3C2 (0.40) MAP3K12TGFBR1TRPV1NR3C2MEN1
SCHEMBL19954613 0.80 MEN1 (0.38) TGFBR1TRPV1NR3C2MEN1KMT2A
SCHEMBL21023784 0.78 NR3C2 (0.36) MAP3K12TGFBR1TRPV1NR3C2

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-3080087-B1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-22 EP disclosed