SCHEMBL9924228

SCHEMBL9924228

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
MCHR1 Q99705 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GRM4 Q14833 1/20 0.35
ALDH1A1 P00352 2/20 0.35
EPHX2 P34913 2/20 0.35
MC5R P33032 1/20 0.34
HSD11B1 P28845 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK14 Q16539 1/20 0.34
DRD2 P14416 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
SCHEMBL9924259 1.00 CHRM1 (0.38) CHRM1MCHR1MEN1KMT2APOLB
SCHEMBL17206702 1.00 CHRM1 (0.38) CHRM1MCHR1MEN1KMT2APOLB
SCHEMBL9924254 0.95 CHRM1 (0.39) CHRM1MCHR1MEN1KMT2APOLB
SCHEMBL9924084 0.94 GRM4 (0.35) MEN1KMT2AGRM4ALDH1A1EPHX2
SCHEMBL9924082 0.93 CHRM1 (0.38) CHRM1MEN1KMT2APOLBGRM4
SCHEMBL17206629 0.93 CHRM1 (0.38) CHRM1MEN1KMT2APOLBGRM4
SCHEMBL9924087 0.93 HSD11B1 (0.39) MEN1KMT2AGRM4ALDH1A1EPHX2
SCHEMBL9924255 0.92 GRM4 (0.36) MEN1KMT2AGRM4ALDH1A1EPHX2
SCHEMBL17206710 0.91 MEN1 (0.38) MCHR1MEN1KMT2APOLBGRM4
SCHEMBL9924077 0.90 GRM4 (0.38) KMT2AGRM4ALDH1A1EPHX2HSD11B1

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