SCHEMBL9924082

SCHEMBL9924082

CCOC(=O)N[C@@H]1CCC[C@@H](N/C(=N\C(=O)c2ccc(F)c(F)c2)Nc2cc(F)cc(Cl)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
GRM5 P41594 6/20 0.37
GRM4 Q14833 1/20 0.35
SLC6A9 P48067 3/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
SLC6A5 Q9Y345 1/20 0.35
LMNA P02545 1/20 0.35
MC5R P33032 1/20 0.34
CXCR6 O00574 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL17206629 1.00 CHRM1 (0.38) CHRM1GRM5GRM4SLC6A9MAPT
SCHEMBL9924259 0.93 CHRM1 (0.38) CHRM1GRM4MAPTMC5RMEN1
SCHEMBL17206702 0.93 CHRM1 (0.38) CHRM1GRM4MAPTMC5RMEN1
SCHEMBL9924228 0.93 CHRM1 (0.38) CHRM1GRM4MAPTMC5RMEN1
SCHEMBL9924254 0.88 CHRM1 (0.39) CHRM1GRM4MC5RMEN1POLB
SCHEMBL9924084 0.87 GRM4 (0.35) GRM4SLC6A9MAPTTP53SLC6A5
SCHEMBL9924087 0.86 HSD11B1 (0.39) GRM4SLC6A9MAPTSLC6A5LMNA
SCHEMBL9924255 0.85 GRM4 (0.36) GRM4SLC6A9MAPTSLC6A5MC5R
SCHEMBL17206710 0.84 MEN1 (0.38) GRM4SLC6A9MAPTTP53SLC6A5
SCHEMBL9924450 0.84 NPC1 (0.47) GRM4SLC6A9MAPTTP53SLC6A5

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