SCHEMBL21397342

SCHEMBL21397342

CC(C(=O)O)C1CCN(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
KDM4E B2RXH2 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
USP2 O75604 3/20 0.45
HDAC4 P56524 2/20 0.45
KMT2A Q03164 2/20 0.45
MBTD1 Q05BQ5 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45
TFPI2 P48307 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CHRNA7 P36544 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL21384617 0.83 L3MBTL1 (0.51) KDM4EKMT2AL3MBTL1GAAMEN1
SCHEMBL21385141 0.83 MAPT (0.45) NOTUMKDM4ECYP2C9CYP2C19GPR119
SCHEMBL18155148 0.82 L3MBTL1 (0.50) NOTUMKDM4ECYP2C9CYP2C19GPR119
SCHEMBL12988320 0.80 L3MBTL1 (0.52) NOTUMKDM4EKMT2AMBTD1L3MBTL3
SCHEMBL22552788 0.80 NOTUM (0.50) NOTUMCYP2C9CYP2C19GPR119USP2
SCHEMBL2557623 0.80 NOTUM (0.50) NOTUMCYP2C9CYP2C19GPR119USP2
SCHEMBL9027649 0.79 L3MBTL1 (0.50) NOTUMKDM4ECYP2C9CYP2C19KMT2A
SCHEMBL9785724 0.78 ACHE (0.64) KDM4EKMT2AL3MBTL3L3MBTL1MEN1
Hydrochloric Acid SCHEMBL28444516 0.77 L3MBTL1 (0.49) NOTUMKDM4ECYP2C9CYP2C19KMT2A
SCHEMBL20825649 0.77 POLB (0.46) NOTUMKDM4ECYP2C9CYP2C19GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117185987-A Amidine and guanidine derivatives, preparation method and medical application thereof 四川科伦博泰生物医药股份有限公司 2023-12-08 CN disclosed
CN-111630048-B Amidine and guanidine derivatives, preparation method and medical application thereof 四川科伦博泰生物医药股份有限公司 2023-09-29 CN disclosed
CN-111630048-A Amidine and guanidine derivatives, preparation method and application thereof in medicines 四川科伦博泰生物医药股份有限公司 2020-09-04 CN disclosed
WO-2019179362-A1 AMIDINE AND GUANIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USES THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 WO disclosed