SCHEMBL9924084

SCHEMBL9924084

CCOC(=O)NC1CCC(N/C(=N\C(=O)c2ccc(F)c(C)c2)Nc2cc(F)cc(Cl)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 2/20 0.34
MC5R P33032 1/20 0.34
HSD11B1 P28845 1/20 0.34
GRIN2B Q13224 1/20 0.34
ACKR3 P25106 1/20 0.34
MAPT P10636 3/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK14 Q16539 1/20 0.33
DRD2 P14416 1/20 0.33
SSTR5 P35346 1/20 0.33
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
TP53 P04637 1/20 0.33
HTR7 P34969 1/20 0.33
CHRM3 P20309 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9924254 0.94 CHRM1 (0.39) GRM4MEN1ALDH1A1KMT2AEPHX2
SCHEMBL9924228 0.94 CHRM1 (0.38) GRM4MEN1ALDH1A1KMT2AEPHX2
SCHEMBL9924259 0.94 CHRM1 (0.38) GRM4MEN1ALDH1A1KMT2AEPHX2
SCHEMBL17206702 0.94 CHRM1 (0.38) GRM4MEN1ALDH1A1KMT2AEPHX2
SCHEMBL9924087 0.92 HSD11B1 (0.39) GRM4MEN1ALDH1A1KMT2AEPHX2
SCHEMBL9924255 0.91 GRM4 (0.36) GRM4MEN1ALDH1A1KMT2AEPHX2
SCHEMBL9924077 0.89 GRM4 (0.38) GRM4ALDH1A1KMT2AEPHX2HSD11B1
SCHEMBL9924080 0.89 MAPT (0.40) GRM4MC5RHSD11B1MAPTTP53
SCHEMBL9923892 0.89 MAPT (0.40) GRM4MC5RHSD11B1MAPTTP53
SCHEMBL9924256 0.89 NPC1 (0.36) GRM4MEN1KMT2AEPHX2DRD2

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 2 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
WO-2012078867-A2 CYCLOALKYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed