SCHEMBL9924090

SCHEMBL9924090

COC(=O)NC1CCC(N/C(=N\C(=O)c2ccc(Cl)cc2)Nc2cc(F)cc(Cl)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOB P04114 2/20 0.40
MTTP P55157 2/20 0.40
PRCP P42785 1/20 0.40
SLC6A9 P48067 4/20 0.39
GRM4 Q14833 1/20 0.39
SLC6A5 Q9Y345 1/20 0.38
EPHX2 P34913 3/20 0.38
MC5R P33032 1/20 0.37
TP53 P04637 2/20 0.36
MDM2 Q00987 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
FAAH O00519 1/20 0.35
RAPGEF3 O95398 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 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
SCHEMBL9924069 0.94 GRM4 (0.38) APOBMTTPPRCPSLC6A9GRM4
SCHEMBL9924332 0.93 SLC6A9 (0.41) SLC6A9GRM4EPHX2TP53MEN1
SCHEMBL9924070 0.93 GRM4 (0.40) APOBMTTPPRCPSLC6A9GRM4
SCHEMBL17206710 0.92 MEN1 (0.38) APOBMTTPPRCPSLC6A9GRM4
SCHEMBL9924087 0.91 HSD11B1 (0.39) SLC6A9GRM4SLC6A5EPHX2MC5R
SCHEMBL9924215 0.89 SLC6A9 (0.41) SLC6A9GRM4SLC6A5EPHX2MC5R
SCHEMBL9924257 0.87 GRM5 (0.42) APOBMTTPEPHX2MEN1KMT2A
SCHEMBL9924255 0.86 GRM4 (0.36) SLC6A9GRM4SLC6A5EPHX2MC5R
SCHEMBL9924329 0.85 SLC6A9 (0.40) SLC6A9EPHX2TP53KMT2AALDH1A1
SCHEMBL9924083 0.85 NPC1 (0.44) GRM4MC5RTP53MDM2MEN1

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