SCHEMBL28814868

SCHEMBL28814868

CC(C)(C)CCN1CCOC(C(=O)[SnH])C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.35
CACNA1I Q9P0X4 6/20 0.35
CACNA1G O43497 1/20 0.35
CHRM2 P08172 1/20 0.35
HRH1 P35367 1/20 0.35
HTR4 Q13639 1/20 0.35
CACNA1C Q13936 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRL1 P41146 1/20 0.33
PDK1 Q15118 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CACNA1H O95180 2/20 0.32
DRD3 P35462 3/20 0.31
SIGMAR1 Q99720 1/20 0.31
OPRD1 P41143 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL27985537 0.81 KDM4E (0.40) KCNH2PDK1KDM4EDRD3CCR2
SCHEMBL19998542 0.74 KDM1A (0.44) SMN1; SMN2PDK1DRD3SIGMAR1
SCHEMBL27985446 0.73 PDK1 (0.35) SMN1; SMN2PDK1
SCHEMBL14940873 0.72 MEN1 (0.33) SMN1; SMN2MEN1KMT2AOPRM1OPRL1
SCHEMBL14940870 0.72 SMN1; SMN2 (0.30) SMN1; SMN2MEN1KMT2AOPRM1OPRL1
SCHEMBL25565630 0.71 CACNA1H (0.33) CACNA1HDRD3
SCHEMBL25565628 0.71 CACNA1H (0.33) CACNA1HDRD3
SCHEMBL24692721 0.68 PDK1 (0.32) PDK1CACNA1HDRD3
SCHEMBL28199158 0.67 ALDH1A1 (0.42) KCNH2MEN1KMT2APDK1KDM4E
SCHEMBL12788557 0.67 TSHR (0.55) SMN1; SMN2MEN1KMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104105691-A MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC 2014-10-15 CN disclosed