SCHEMBL28124706

SCHEMBL28124706

CC(C)(C)C(=O)OCCOC1CCCNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A1 P30531 2/20 0.34
LMNA P02545 2/20 0.34
SLC6A11 P48066 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
PRKCA P17252 1/20 0.33
CYP2D6 P10635 1/20 0.33
CPN1 P15169 2/20 0.31
CPB2 Q96IY4 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL28192991 0.91 CHRM1 (0.33) CHRM2CHRM1CHRM3SLC6A1SLC6A11
SCHEMBL30772071 0.83 SLC6A1 (0.37) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL28124713 0.81 PRKCA (0.33) LMNATSHRPRKCAPOLBGAA
SCHEMBL19959156 0.79 CHRNB2 (0.40) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL27417189 0.78 CHRM2 (0.34) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL27504346 0.78 SLC6A1 (0.40) CHRNB2CHRNA4SLC6A1LMNASLC6A11
SCHEMBL27744409 0.78 SLC6A1 (0.40) CHRNB2CHRNA4SLC6A1LMNASLC6A11
SCHEMBL27657052 0.78 SLC6A1 (0.40) CHRNB2CHRNA4SLC6A1LMNASLC6A11
SCHEMBL23364687 0.76 CHRNB2 (0.40) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL28759826 0.75 KMT2A (0.41) CHRNB2CHRNA4SMN1; SMN2KMT2ACPN1

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-106459034-A Quinolone derivatives as fibroblast growth factor receptor inhibitors 普林斯匹亚生物制药公司 2017-02-22 CN disclosed