SCHEMBL25787372

SCHEMBL25787372

CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ME2 P23368 1/20 0.65
ME1 P48163 1/20 0.65
ME3 Q16798 1/20 0.65
CA12 O43570 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
AKR1C3 P42330 1/20 0.61
CCR1 P32246 1/20 0.57
MAPT P10636 3/20 0.56
ADAMTS5 Q9UNA0 1/20 0.55
ENPP2 Q13822 1/20 0.55
MAPK1 P28482 1/20 0.53
EPHX2 P34913 1/20 0.53
PDK2 Q15119 1/20 0.53
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.52
CYP2C19 P33261 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
NAMPT P43490 1/20 0.51

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
SCHEMBL762466 0.86 MAPT (0.58) ME2ME1ME3CA12CA2
SCHEMBL14895193 0.86 ME2 (0.60) ME2ME1ME3CA12CA2
SCHEMBL945056 0.85 ME2 (0.65) ME2ME1ME3CA12CA2
SCHEMBL3767729 0.84 ME2 (0.60) ME2ME1ME3CA12CA2
SCHEMBL14895098 0.84 CNR1 (0.59) ME2ME1ME3CA12CA2
SCHEMBL12041849 0.84 ME2 (0.64) ME2ME1ME3CA12CA2
SCHEMBL4507048 0.84 ME2 (0.56) ME2ME1ME3MAPTMAPK1
SCHEMBL31642475 0.83 POLB (0.73) MAPTALDH1A1POLBCYP2C19
SCHEMBL12781894 0.83 POLB (0.73) MAPTALDH1A1POLBCYP2C19
SCHEMBL12041848 0.83 RAB9A (0.61) ME2ME1ME3CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3805214-B1 JAK3 SELECTIVE INHIBITOR UNIV PEKING SHENZHEN GRADUATE SCHOOL (CN) 2023-07-05 EP disclosed