SCHEMBL16649182

SCHEMBL16649182

CC(C)[C@H](N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 8/20 0.47
▸ SLC6A2 P23975 7/20 0.47
▸ SLC6A3 Q01959 6/20 0.47
▸ PNMT P11086 1/20 0.47
▸ AHR P35869 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ IDO2 Q6ZQW0 1/20 0.42
▸ ADRB2 P07550 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ CYP3A4 P08684 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ KCNH2 Q12809 2/20 0.39

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
SCHEMBL16649843 1.00 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3PNMTAHR
SCHEMBL1565324 1.00 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3PNMTAHR
SCHEMBL2273892 0.83 S1PR1 (0.43) SLC6A4SLC6A2SLC6A3PNMTLMNA
SCHEMBL5862322 0.82 ADRB2 (0.56) SLC6A4SLC6A2SLC6A3PNMTAHR
SCHEMBL3181409 0.82 ADRB2 (0.56) SLC6A4SLC6A2SLC6A3PNMTAHR
SCHEMBL61975 0.82 ADRB2 (0.56) SLC6A4SLC6A2SLC6A3PNMTAHR
SCHEMBL29453111 0.82 ADRB2 (0.56) SLC6A4SLC6A2SLC6A3PNMTAHR
SCHEMBL1556537 0.82 APP (0.39) SLC6A4SLC6A2SLC6A3PNMTADRB2
SCHEMBL16649917 0.80 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3PNMTAHR
SCHEMBL16649763 0.80 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3PNMTAHR

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-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP claimed
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