SCHEMBL9924274

SCHEMBL9924274

CCOC(=O)N[C@H]1CC[C@H](N/C(=N\C(=O)c2ccc(F)c(F)c2)NCc2ccccc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCHR1 Q99705 2/20 0.37
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 1/20 0.36
AR P10275 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL9923860 0.93 P2RX7 (0.40) CHRM1ALDH1A1TSHRMCHR1AR
SCHEMBL9924270 0.92 HPGD (0.40) CHRM1ALDH1A1HPGDL3MBTL1MCHR1
SCHEMBL9923859 0.91 CHRM1 (0.41) CHRM1ALDH1A1TSHRMCHR1ROCK2
SCHEMBL17206723 0.91 EPHX2 (0.43) CHRM1ALDH1A1KDM4EROCK2ROCK1
SCHEMBL9923858 0.90 ALDH1A1 (0.41) CHRM1TDP1ALDH1A1TSHRMCHR1
SCHEMBL9924064 0.89 CHRM1 (0.40) CHRM1MCHR1ROCK2ROCK1CYP2C9
SCHEMBL9923856 0.88 CHRM1 (0.42) CHRM1ALDH1A1TSHRMCHR1ROCK2
SCHEMBL9924156 0.87 CHRM1 (0.45) CHRM1ALDH1A1MCHR1ARCYP2C9
SCHEMBL17206627 0.87 KMT2A (0.42) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL9924066 0.86 CHRM1 (0.41) CHRM1ALDH1A1TSHRMCHR1AR

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