SCHEMBL31349154

SCHEMBL31349154

CC(C)(C)OC(=O)N1CCN(C2=CCC(=NO)C=C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
GPR119 Q8TDV5 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NAMPT P43490 1/20 0.38
MAP4K4 O95819 1/20 0.38
CYP2C19 P33261 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
EPHX2 P34913 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6639795 0.75 ALDH1A1 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2USP2
SCHEMBL698803 0.70 USP2 (0.69) ALDH1A1LMNAMAPTSMN1; SMN2USP2
SCHEMBL18294 0.70 USP2 (0.69) ALDH1A1LMNAMAPTSMN1; SMN2USP2
SCHEMBL5573222 0.70 MAPT (0.76) ALDH1A1LMNAMAPTSMN1; SMN2USP2
SCHEMBL26353773 0.69 LMNA (0.41) ALDH1A1LMNAMAPTSMN1; SMN2USP2
SCHEMBL17549225 0.67 POLB (0.44) ALDH1A1LMNAMAPTSMN1; SMN2USP2
SCHEMBL10297496 0.67 GPR119 (0.55) ALDH1A1LMNAMAPTSMN1; SMN2USP2
SCHEMBL417717 0.67 USP2 (0.51) ALDH1A1LMNAMAPTSMN1; SMN2USP2
SCHEMBL1458887 0.66 GPR119 (0.76) ALDH1A1LMNAMAPTSMN1; SMN2USP2
SCHEMBL18642349 0.65 USP2 (0.58) ALDH1A1LMNAMAPTSMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118959-A Preparation method of 4- [4- (aminomethyl) phenyl ] piperazine-1-carboxylic acid tert-butyl ester 镇江市高等专科学校 2024-12-13 CN claimed
CN-119118959-A Preparation method of 4- [4- (aminomethyl) phenyl ] piperazine-1-carboxylic acid tert-butyl ester 镇江市高等专科学校 2024-12-13 CN disclosed
CN-119118959-A Preparation method of 4- [4- (aminomethyl) phenyl ] piperazine-1-carboxylic acid tert-butyl ester 镇江市高等专科学校 2024-12-13 CN disclosed