SCHEMBL19954551

SCHEMBL19954551

CCc1cc(C(F)(F)F)nn1C1CC(O)C(O)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
TGFBR1 P36897 2/20 0.32
GRIA2 P42262 1/20 0.32
LMNA P02545 1/20 0.32
LRRK2 Q5S007 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
GAA P10253 1/20 0.30
IDO1 P14902 1/20 0.30
NR3C2 P08235 1/20 0.30
POLB P06746 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
SCHEMBL21024103 0.82 TRPV1 (0.42) TRPV1TGFBR1LRRK2GAANR3C2
SCHEMBL21023833 0.82 TRPV1 (0.40) TRPV1TGFBR1GRIA2LRRK2GAA
SCHEMBL18164067 0.80 GAA (0.37) TGFBR1LMNAGAANR3C2POLB
SCHEMBL19954622 0.78 GAA (0.37) TRPV1TGFBR1LRRK2GAANR3C2
SCHEMBL19954552 0.78 MAP3K12 (0.33) TGFBR1IDO1NR3C2
SCHEMBL19954640 0.73 CCNT1 (0.36) TRPV1TGFBR1LMNANR3C2POLB
SCHEMBL21023570 0.73 NR3C2 (0.38) TRPV1GAANR3C2POLB
SCHEMBL19954602 0.72 AR (0.41) TRPV1GRIA2LRRK2
SCHEMBL19954668 0.72 PLAT (0.36) TRPV1TGFBR1GRIA2LRRK2NR3C2
SCHEMBL21023747 0.71 DPP4 (0.35) TGFBR1LMNAGAANR3C2POLB

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