SCHEMBL9924267

SCHEMBL9924267

CCOC(=O)N[C@H]1CC[C@H](N/C(=N\C(=O)c2ccc(F)c(F)c2)NCc2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
P2RX7 Q99572 1/20 0.40
CHRM1 P11229 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MAPK14 Q16539 1/20 0.38
EPHX2 P34913 1/20 0.38
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
TSHR P16473 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SSTR3 P32745 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
SCHEMBL9923857 0.93 LMNA (0.40) SMN1; SMN2LMNACHRM1MAPK14EPHX2
SCHEMBL9923856 0.92 CHRM1 (0.42) SMN1; SMN2LMNAMAPTCHRM1MAPK14
SCHEMBL9924063 0.91 SMN1; SMN2 (0.43) SMN1; SMN2LMNACHRM1MAPK14TSHR
SCHEMBL9924273 0.91 CHRM1 (0.41) SMN1; SMN2LMNAMAPTCHRM1MAPK14
SCHEMBL9924067 0.90 SMN1; SMN2 (0.43) SMN1; SMN2LMNAP2RX7CHRM1MAPK14
SCHEMBL9924275 0.90 THRB (0.45) SMN1; SMN2MAPTP2RX7CHRM1MAPK14
SCHEMBL9924066 0.88 CHRM1 (0.41) SMN1; SMN2LMNAMAPTCHRM1MAPK14
SCHEMBL9924064 0.88 CHRM1 (0.40) SMN1; SMN2LMNAP2RX7CHRM1MAPK14
SCHEMBL9924270 0.87 HPGD (0.40) SMN1; SMN2LMNAP2RX7CHRM1EPHX2
SCHEMBL9924424 0.87 TRPV1 (0.45) SMN1; SMN2LMNAMAPTCHRM1EPHX2

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