SCHEMBL22050485

SCHEMBL22050485

O=C(Cn1cc(SN2CCC(c3ccc(-c4ccccc4)cc3)CC2)ccc1=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ P2RY14 Q15391 8/20 0.38
▸ DRD1 P21728 2/20 0.38
▸ DRD5 P21918 2/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ SLC6A7 Q99884 1/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CCR2 P41597 2/20 0.36
▸ SLC13A5 Q86YT5 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ MAPT P10636 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
SCHEMBL23888878 1.00 S1PR5 (0.40) S1PR5KMT2AP2RY14DRD1DRD5
SCHEMBL22051935 0.84 USP5 (0.51) S1PR5KMT2AMAPTUSP5
SCHEMBL22050486 0.84 USP5 (0.51) S1PR5KMT2AMAPTUSP5
SCHEMBL22051934 0.83 S1PR5 (0.39) S1PR5KMT2AP2RY14DRD1DRD5
SCHEMBL22051258 0.77 USP5 (0.46) KMT2AMAPTUSP5
SCHEMBL22051259 0.77 KMT2A (0.36) S1PR5KMT2AP2RY14DRD1DRD5
SCHEMBL22050821 0.77 MGLL (0.35) S1PR5KMT2AP2RY14DRD1DRD5
SCHEMBL22050820 0.77 USP5 (0.44) P2RY14MGLLMAPTUSP5
SCHEMBL22051926 0.76 USP5 (0.45) P2RY14MAPTUSP5
SCHEMBL18054903 0.75 ALDH1A1 (0.45) S1PR5SLC6A7S1PR2MAOBSLC13A5

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
WO-2020111252-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF 国立大学法人九州大学 2020-06-04 — — WO disclosed
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