SCHEMBL9924273

SCHEMBL9924273

CCOC(=O)N[C@H]1CC[C@H](N/C(=N\C(=O)c2ccc(F)c(F)c2)NCc2ccc(Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.38
SSTR3 P32745 1/20 0.37
MAPT P10636 1/20 0.37
HSD11B1 P28845 1/20 0.36
MCHR1 Q99705 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL9923856 0.94 CHRM1 (0.42) CHRM1SMN1; SMN2LMNAHTTTSHR
SCHEMBL9924063 0.93 SMN1; SMN2 (0.43) CHRM1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9924067 0.92 SMN1; SMN2 (0.43) CHRM1SMN1; SMN2LMNAHTTTSHR
SCHEMBL9924267 0.91 SMN1; SMN2 (0.47) CHRM1EPHX2SMN1; SMN2LMNATSHR
SCHEMBL9924276 0.90 EPHX2 (0.42) CHRM1EPHX2SMN1; SMN2LMNAHTT
SCHEMBL9924066 0.90 CHRM1 (0.41) CHRM1SMN1; SMN2LMNAHTTTSHR
SCHEMBL9924064 0.89 CHRM1 (0.40) CHRM1SMN1; SMN2LMNAHTTMCHR1
SCHEMBL9923857 0.88 LMNA (0.40) CHRM1EPHX2SMN1; SMN2LMNAHTT
SCHEMBL9924156 0.87 CHRM1 (0.45) CHRM1MCHR1ALDH1A1CYP2C9MAPK14
SCHEMBL9924270 0.87 HPGD (0.40) CHRM1EPHX2SMN1; SMN2LMNAMCHR1

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