SCHEMBL28089929

SCHEMBL28089929

CC(C)(C)N(Cc1ccccn1)N1CCC(C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
KDM4E B2RXH2 4/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
AGTR2 P50052 2/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 2/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL28089793 0.79 ALDH1A1 (0.39) L3MBTL1KDM4ECYP2C19ALDH1A1POLB
SCHEMBL28089933 0.78 KDM4E (0.46) L3MBTL1KDM4ECYP2C19ALDH1A1POLB
Tert-Butylamine SCHEMBL28089931 0.76 L3MBTL1 (0.83) L3MBTL1KDM4ECYP2C19ALDH1A1CYP1A2
SCHEMBL6994948 0.74 L3MBTL1 (0.97) L3MBTL1KDM4ECYP2C19ALDH1A1CYP1A2
SCHEMBL8560931 0.71 L3MBTL1 (0.56) L3MBTL1KDM4ECYP2C19ALDH1A1POLB
SCHEMBL27942389 0.70 L3MBTL1 (0.43) L3MBTL1KDM4ECYP2C19ALDH1A1POLB
SCHEMBL21061969 0.69 L3MBTL1 (0.82) L3MBTL1KDM4ECYP2C19ALDH1A1POLB
SCHEMBL21061629 0.69 L3MBTL1 (0.82) L3MBTL1KDM4ECYP2C19ALDH1A1POLB
SCHEMBL28089927 0.69 LMNA (0.41) L3MBTL1KDM4ECYP2C19ALDH1A1POLB
SCHEMBL22366419 0.69 CYP1A2 (0.49) L3MBTL1KDM4EALDH1A1CYP1A2POLB

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-103619838-B Piperidinyl monocarboxylic acids as S1P1 receptor agonists 生物计划公司 2016-08-24 CN disclosed