SCHEMBL9924276

SCHEMBL9924276

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
PPARG P37231 2/20 0.42
KCNQ2 O43526 3/20 0.41
KCNQ3 O43525 2/20 0.41
KCNQ4 P56696 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
CHRM1 P11229 1/20 0.39
TP53 P04637 1/20 0.39
P2RX7 Q99572 1/20 0.38
SLC6A5 Q9Y345 2/20 0.38
MCHR1 Q99705 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
LSS P48449 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 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 0.91 CHRM1 (0.42) LMNAMAPTCHRM1MCHR1HTT
SCHEMBL9924275 0.91 THRB (0.45) MAPTCHRM1P2RX7HTTSMN1; SMN2
SCHEMBL9924273 0.90 CHRM1 (0.41) EPHX2LMNAMAPTCHRM1MCHR1
SCHEMBL9924066 0.88 CHRM1 (0.41) LMNAMAPTCHRM1MCHR1HTT
SCHEMBL17206626 0.87 LMNA (0.42) LMNAMAPTTP53P2RX7SLC6A5
SCHEMBL9924063 0.87 SMN1; SMN2 (0.43) LMNACHRM1MCHR1HTTSMN1; SMN2
SCHEMBL9924067 0.86 SMN1; SMN2 (0.43) PPARGLMNACHRM1P2RX7MCHR1
SCHEMBL9924158 0.86 CHRM1 (0.42) EPHX2CHRM1MCHR1ALDH1A1CYP2C9
SCHEMBL9923857 0.85 LMNA (0.40) EPHX2LMNACHRM1HTTSMN1; SMN2
SCHEMBL9924267 0.85 SMN1; SMN2 (0.47) EPHX2LMNAMAPTCHRM1P2RX7

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