SCHEMBL19954641

SCHEMBL19954641

CC(C)N1CCC(n2nc(C(F)(F)F)cc2C(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.35
NR3C2 P08235 1/20 0.35
HRH3 Q9Y5N1 5/20 0.33
TGFBR1 P36897 1/20 0.32
OGA O60502 1/20 0.32
TYRO3 Q06418 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL22560184 0.85 TGFBR1 (0.38) NR3C2TGFBR1L3MBTL1
SCHEMBL21023948 0.83 NR3C1 (0.38) NR3C1NR3C2HRH3OGAL3MBTL1
SCHEMBL19954636 0.83 NR3C2 (0.39) NR3C2HRH3TGFBR1
SCHEMBL19954566 0.82 NR3C1 (0.36) NR3C1NR3C2HRH3TGFBR1OGA
SCHEMBL19953967 0.82 DRD2 (0.38) NR3C1HRH3
SCHEMBL19954631 0.79 TGFBR1 (0.43) NR3C2TGFBR1
SCHEMBL19954603 0.78 TRPV4 (0.43) NR3C1NR3C2TGFBR1
SCHEMBL19954623 0.76 CYP1A2 (0.32) TGFBR1
SCHEMBL15069885 0.74 MAPK13 (0.40)
SCHEMBL25745882 0.74 MAPK13 (0.32)

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