SCHEMBL28379986

SCHEMBL28379986

C=CC(N)Cc1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.44
▸ SLC1A3 P43003 2/20 0.38
▸ SLC1A2 P43004 2/20 0.38
▸ SLC1A1 P43005 2/20 0.38
▸ DPP4 P27487 2/20 0.38
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ MME P08473 3/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ OPRM1 P35372 2/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ PSMB5 P28074 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1696684 0.81 SLC1A3 (0.45) TAAR1SLC1A3SLC1A2SLC1A1DPP4
SCHEMBL13962958 0.81 SLC1A3 (0.45) TAAR1SLC1A3SLC1A2SLC1A1DPP4
SCHEMBL28905950 0.74 — —
SCHEMBL14478277 0.74 — —
SCHEMBL4135682 0.74 — —
Hydrochloric Acid SCHEMBL9433817 0.72 TAAR1 (0.48) TAAR1SLC6A2SLC6A3
SCHEMBL24931234 0.71 EPHX1 (0.56) TAAR1SLC1A3SLC1A2SLC1A1SLC6A2
SCHEMBL433275 0.71 EPHX1 (0.56) TAAR1SLC1A3SLC1A2SLC1A1SLC6A2
SCHEMBL2079265 0.71 EPHX1 (0.56) TAAR1SLC1A3SLC1A2SLC1A1SLC6A2
SCHEMBL4202520 0.71 SLC6A4 (0.47) TAAR1SLC1A3SLC1A2SLC1A1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108707212-B Controllable preparation method of water-soluble conjugated polymer nanoparticles 上海交通大学 2020-01-07 — — CN claimed
CN-108707212-B Controllable preparation method of water-soluble conjugated polymer nanoparticles 上海交通大学 2020-01-07 — — CN disclosed
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