SCHEMBL22755137

SCHEMBL22755137

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.45
▸ CCR3 P51677 1/20 0.45
▸ KDM1A O60341 1/20 0.41
▸ SPR P35270 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ PLA2G1B P04054 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL22755167 0.94 HRH1 (0.45) HRH1CCR3KDM1ASPRBTK
SCHEMBL22755080 0.92 HRH1 (0.48) HRH1CCR3SPRBTKKMT2A
SCHEMBL22755095 0.92 MLNR (0.44) HRH1CCR3SPRBTKCCR5
SCHEMBL22754984 0.89 LIPE (0.45) HRH1CCR3KDM1ASPRALDH1A1
SCHEMBL22754940 0.89 HRH1 (0.42) HRH1CCR3SPR
SCHEMBL22755114 0.89 HRH1 (0.46) HRH1CCR3KDM1ASPRBTK
SCHEMBL22755349 0.87 HRH1 (0.61) HRH1CCR3
SCHEMBL22755321 0.85 HRH1 (0.41) HRH1CCR3KDM1ASPRBTK
SCHEMBL22755319 0.83 EPHX2 (0.43) HRH1CCR3KMT2AALDH1A1HPGD
SCHEMBL22754968 0.81 BTK (0.47) SPRBTK

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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