SCHEMBL19360614

SCHEMBL19360614

CCOC(=O)c1ccc2c(c1)cc(CN1CCC(C(F)(F)F)CC1)n2C(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
RORC P51449 4/20 0.37
MAOA P21397 1/20 0.37
KDM4E B2RXH2 2/20 0.37
DPP4 P27487 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
FDFT1 P37268 1/20 0.36
PRMT1 Q99873 1/20 0.36
NPY2R P49146 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL19360625 0.86 USP2 (0.39) RORCMAOAKDM4EALDH1A1PRMT1
SCHEMBL19360400 0.77 RORC (0.51) RORC
SCHEMBL19360402 0.77 RORC (0.67) RORC
SCHEMBL19360613 0.76 HRH3 (0.44) MAOAKDM4EALDH1A1POLBGAA
SCHEMBL18440688 0.74 RORC (0.43) PTGER4RORCKDM4EALDH1A1TSHR
SCHEMBL19360626 0.71 L3MBTL1 (0.38) RORC
SCHEMBL10272098 0.70 HRH3 (0.47) KDM4EALDH1A1LMNA
SCHEMBL4728865 0.67 ATM (0.55) PTGER4RORCMAOAKDM4EALDH1A1
SCHEMBL1779783 0.66 ESR2 (0.47) MAOAALDH1A1FDFT1LMNA
SCHEMBL1782299 0.66 ESR2 (0.47) MAOAALDH1A1FDFT1LMNA

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
CN-107531679-B Aromatic amide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-02 CN disclosed
WO-2017157332-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATIONS THEREOF 江苏恒瑞医药股份有限公司 2017-09-21 WO disclosed