SCHEMBL18508625

SCHEMBL18508625

CCc1cc(Cl)c2c(Br)nn(C)c2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR2B P41595 2/20 0.32
▸ SLC22A12 Q96S37 2/20 0.31
▸ GAA P10253 1/20 0.30

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
SCHEMBL13131392 0.78 REN (0.35) HTR2AHTR2CHTR1ADRD2DRD4
SCHEMBL31728023 0.73 CCR4 (0.39) GAA
SCHEMBL13132275 0.67 REN (0.36) —
SCHEMBL18508622 0.67 PHGDH (0.37) HTR2AHTR2CHTR1ADRD2DRD4
SCHEMBL24252947 0.63 NMT1 (0.37) —
SCHEMBL30791764 0.63 NMT1 (0.37) —
SCHEMBL21649226 0.62 MAPK8 (0.32) —
SCHEMBL21986190 0.61 HTR2A (0.33) HTR2AHTR2CHTR1ADRD2DRD4
SCHEMBL30092282 0.61 HTR2A (0.33) HTR2AHTR2CHTR1ADRD2DRD4
SCHEMBL1547496 0.61 ALDH1A1 (0.45) HTR2AHTR2CHTR1ADRD2DRD4

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-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 — — EP disclosed
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