SCHEMBL7460636

SCHEMBL7460636

CCOC(=O)CCCCOc1ccc2[nH]c3c(c2c1)CC(N)CC3

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 4/20 0.71
▸ HTR1D P28221 3/20 0.71
▸ EGFR P00533 1/20 0.59
▸ IGF1R P08069 1/20 0.59
▸ FLT4 P35916 1/20 0.59
▸ KDR P35968 1/20 0.59
▸ HTR6 P50406 1/20 0.45
▸ NR2E1 Q9Y466 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.42

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
Hydrochloric Acid SCHEMBL8618425 0.99 HTR1B (0.70) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL1388869 0.87 HTR1B (0.72) HTR1BHTR1DEGFRIGF1RFLT4
Oxalic Acid SCHEMBL7544492 0.85 HTR1B (0.82) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL9333462 0.84 HTR1B (0.93) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL7460912 0.81 HTR1B (0.68) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL8527482 0.79 HTR1B (0.69) HTR1BHTR1DKDRHTR6NR2E1
SCHEMBL9305716 0.77 BRD4 (0.56) BRD4PDE3BPDE3AP2RY12
Hydrochloric Acid SCHEMBL9305103 0.77 BRD4 (0.55) BRD4PDE3BPDE3AP2RY12
SCHEMBL9303733 0.77 BRD4 (0.55) HTR1BHTR1DBRD4PDE3BPDE3A
Oxalic Acid SCHEMBL7543521 0.76 HTR1B (0.65) HTR1BHTR1DKDRHTR6KMT2A

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-0782568-B1 AROMATIC ETHERS DERIVED FROM INDOLS SUCH AS 5HT1-LIKE LIGANDS PF MEDICAMENT (FR) 2002-04-24 — — EP claimed
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