SCHEMBL22754940

SCHEMBL22754940

Cc1c[nH]c(=O)c2c(C(=O)N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)c[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.42
▸ CCR3 P51677 1/20 0.42
▸ MMP13 P45452 2/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ FPR2 P25090 2/20 0.41
▸ PROKR1 Q8TCW9 2/20 0.41
▸ EPHX2 P34913 6/20 0.41
▸ MMP12 P39900 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ NTRK1 P04629 3/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ SPR P35270 1/20 0.38
▸ MAPK7 Q13164 1/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38

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
SCHEMBL22754984 0.91 LIPE (0.45) HRH1CCR3MMP13MMP2FPR2
SCHEMBL22755095 0.89 MLNR (0.44) HRH1CCR3KCNH2HSD11B1SPR
SCHEMBL22755167 0.89 HRH1 (0.45) HRH1CCR3EPHX2SPR
SCHEMBL22755137 0.89 HRH1 (0.45) HRH1CCR3SPR
SCHEMBL22755080 0.87 HRH1 (0.48) HRH1CCR3FPR2PROKR1EPHX2
SCHEMBL22755075 0.85 ALDH1A1 (0.37) HRH1CCR3SPR
SCHEMBL22755349 0.83 HRH1 (0.61) HRH1CCR3KCNH2
SCHEMBL22755114 0.81 HRH1 (0.46) HRH1CCR3SPR
SCHEMBL22755321 0.79 HRH1 (0.41) HRH1CCR3EPHX2HSD11B1SPR
SCHEMBL22755319 0.79 EPHX2 (0.43) HRH1CCR3EPHX2HSD11B1MGLL

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-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP disclosed
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