SCHEMBL28673235

SCHEMBL28673235

CC(C)CNC(=O)C1CCCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
EPHX1 P07099 1/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
CYP2D6 P10635 1/20 0.34
KDM4E B2RXH2 2/20 0.34
EPHX2 P34913 1/20 0.34
PREP P48147 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
FAP Q12884 1/20 0.33

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
SCHEMBL28686690 0.83 DPP4 (0.41) KMT2AEPHX1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2220706 0.81 RAB9A (0.38) CYP2C19RAB9AKDM4ELMNA
SCHEMBL4112005 0.75 CYP2C19 (0.32) EPHX1CYP2C19RAB9ACYP2D6KDM4E
SCHEMBL19514122 0.72 DPP4 (0.36) CYP2C19ALDH1A1LMNAFAP
SCHEMBL2247974 0.72 HSD17B10 (0.35) CYP2C19RAB9AKDM4ELMNAFAP
SCHEMBL4108069 0.71 LMNA (0.33) LMNA
SCHEMBL4108067 0.71 LMNA (0.33) LMNA
SCHEMBL1609549 0.69 EPHX2 (0.37) KMT2AEPHX1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14370048 0.69 P2RX7 (0.48) KMT2AEPHX1RAB9A
SCHEMBL3771274 0.69 EPHX2 (0.37) KMT2AEPHX1ALDH1A1SMN1; SMN2KDM4E

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-113924094-A Ester-substituted ion channel blockers and methods of use thereof 诺西恩医疗公司 2022-01-11 CN disclosed