SCHEMBL9923892

SCHEMBL9923892

CCOC(=O)N[C@H]1CC[C@H](N/C(=N\C(=O)c2ccc(F)c(S(C)(=O)=O)c2)Nc2cc(F)cc(Cl)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.40
TP53 P04637 9/20 0.40
LMNA P02545 4/20 0.39
HSD11B1 P28845 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC9A1 P19634 1/20 0.33
GRM4 Q14833 1/20 0.32
MC5R P33032 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
SCHEMBL9924080 1.00 MAPT (0.40) MAPTTP53LMNAHSD11B1UBE2M
SCHEMBL9924259 0.90 CHRM1 (0.38) MAPTHSD11B1GRM4MC5R
SCHEMBL17206702 0.90 CHRM1 (0.38) MAPTHSD11B1GRM4MC5R
SCHEMBL9924228 0.90 CHRM1 (0.38) MAPTHSD11B1GRM4MC5R
SCHEMBL9924084 0.89 GRM4 (0.35) MAPTTP53LMNAHSD11B1GRM4
SCHEMBL9924254 0.88 CHRM1 (0.39) HSD11B1GRM4MC5R
SCHEMBL9924087 0.88 HSD11B1 (0.39) MAPTLMNAHSD11B1NPSR1GRM4
SCHEMBL9924255 0.87 GRM4 (0.36) MAPTHSD11B1GRM4MC5R
SCHEMBL9924077 0.86 GRM4 (0.38) MAPTLMNAHSD11B1UBE2MDCUN1D1
SCHEMBL9924256 0.85 NPC1 (0.36) LMNAGRM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169199-B2 Cycloalkyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-10-27 US disclosed
US-9169199-B2 Cycloalkyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-10-27 US disclosed
WO-2012078867-A2 CYCLOALKYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed