SCHEMBL7493934

SCHEMBL7493934

C#CC(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.48
▸ TDO2 P48775 2/20 0.48
▸ TSHR P16473 7/20 0.42
▸ HIF1A Q16665 4/20 0.41
▸ SLC6A2 P23975 4/20 0.41
▸ SLC6A4 P31645 4/20 0.41
▸ SLC6A3 Q01959 4/20 0.41
▸ ADRA2A P08913 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ PGR P06401 1/20 0.41

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
SCHEMBL3719325 0.91 TSHR (0.44) IDO1TDO2TSHRHIF1ASLC6A2
SCHEMBL2106150 0.86 TSHR (0.41) TSHRL3MBTL1ALDH1A1CYP2D6
SCHEMBL6069562 0.79 CHRNB2 (0.41) TSHRTDP1CYP3A4MAPK1CYP1A2
SCHEMBL9189085 0.78 IDO1 (0.48) IDO1TDO2TSHRHIF1ASLC6A2
SCHEMBL5164828 0.78 L3MBTL1 (0.56) IDO1TDO2TSHRSLC6A2SLC6A4
SCHEMBL5324736 0.78 LMNA (0.50) IDO1TDO2SLC6A4SLC6A3LMNA
SCHEMBL28217399 0.78 ESR1 (0.56) IDO1TDO2TDP1LMNACNR1
Hydrochloric Acid SCHEMBL27736240 0.77 L3MBTL1 (0.54) IDO1TDO2TSHRCYP2C19TDP1
SCHEMBL588409 0.75 IDO1 (0.59) IDO1TDO2TSHRHIF1ASLC6A2
SCHEMBL587761 0.75 IDO1 (0.59) IDO1TDO2TSHRHIF1ASLC6A2

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-0448765-B1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1994-08-17 — — EP claimed
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