SCHEMBL23355487

SCHEMBL23355487

CC(C)(C)OC(=O)N1CCN(c2ccc(CCO)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
LMNA P02545 3/20 0.61
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
DDB1 Q16531 1/20 0.54
CRBN Q96SW2 1/20 0.54
GPR119 Q8TDV5 9/20 0.54
NAMPT P43490 1/20 0.53
ESRRB O95718 1/20 0.53
ESR1 P03372 1/20 0.53
ESRRA P11474 1/20 0.53
ESRRG P62508 1/20 0.53
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL3124993 0.92 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3709870 0.89 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL1136833 0.89 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL19212323 0.88 MAPT (0.60) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5573222 0.87 MAPT (0.76) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3785257 0.87 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL1432556 0.86 AOC3 (0.57) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3807661 0.86 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3114683 0.86 MAPT (0.57) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL20306312 0.85 MAPT (0.62) MAPTLMNAALDH1A1SMN1; SMN2MEN1

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
EP-3820474-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS Nikang Therapeutics, Inc. (US) 2021-05-19 EP disclosed
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed