SCHEMBL7460912

SCHEMBL7460912

CCC(CCCOc1ccc2[nH]c3c(c2c1)CC(N)CC3)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 6/20 0.68
▸ HTR1D P28221 4/20 0.68
▸ 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 0.47
▸ NR2E1 Q9Y466 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ RAD52 P43351 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTR1A P08908 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ HTR1E P28566 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40

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
Oxalic Acid SCHEMBL7544492 0.87 HTR1B (0.82) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL9333462 0.84 HTR1B (0.93) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL1388869 0.83 HTR1B (0.72) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL7460636 0.81 HTR1B (0.71) HTR1BHTR1DEGFRIGF1RFLT4
Hydrochloric Acid SCHEMBL8618425 0.80 HTR1B (0.70) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL7657783 0.75 EGFR (0.67) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL6527024 0.75 HTR1B (1.00) HTR1BHTR1DEGFRIGF1RFLT4
Hydrochloric Acid SCHEMBL7540641 0.74 HTR1B (0.97) HTR1BHTR1DEGFRIGF1RFLT4
SCHEMBL11844497 0.74 HTR1B (0.53) HTR1BHTR1DEGFRIGF1RFLT4
Oxalic Acid SCHEMBL7540449 0.72 HTR1B (0.66) HTR1BHTR1DEGFRIGF1RFLT4

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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