SCHEMBL19360615

SCHEMBL19360615

CC(C)n1c(CN2CCC(C(F)(F)F)CC2)cc2cc(C(=O)O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.38
GLP1R P43220 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
TEAD1 P28347 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
DRD4 P21917 3/20 0.35
SLC6A12 P48065 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35
ENPP2 Q13822 1/20 0.35
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL19360614 0.87 PTGER4 (0.38) RORCLMNATP53
SCHEMBL18440688 0.84 RORC (0.43) RORCGLP1RTEAD1TEAD4TEAD2
SCHEMBL19360626 0.83 L3MBTL1 (0.38) RORCTEAD1TEAD4TEAD2DRD4
SCHEMBL19360400 0.79 RORC (0.51) RORC
SCHEMBL19360402 0.79 RORC (0.67) RORC
SCHEMBL19360625 0.72 USP2 (0.39) RORCENPP2
SCHEMBL19360379 0.72 RORC (0.65) RORC
SCHEMBL19360368 0.71 RORC (0.63) RORC
SCHEMBL18440589 0.70 RORC (0.57) RORCKMT2A
SCHEMBL28197905 0.69 RORC (0.50) RORC

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-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
CN-107531679-A Aromatic amides analog derivative, its preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2018-01-02 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