SCHEMBL9847013

SCHEMBL9847013

NCc1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4CN)cc3)CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.45
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
ADORA3 P0DMS8 1/20 0.38
SLC6A4 P31645 11/20 0.38
SLC6A2 P23975 8/20 0.38
SLC6A3 Q01959 7/20 0.38
HTR2A P28223 3/20 0.38
RIPK1 Q13546 1/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL3095981 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1PSMB1PSMB5PSMB2
SCHEMBL25969504 0.77 ESR1 (0.50) ALDH1A1L3MBTL1PSMB1PSMB5PSMB2
SCHEMBL1196716 0.76 HRH1 (0.71) HRH1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL3289026 0.75 HRH1 (0.55) HRH1ALDH1A1L3MBTL1SLC6A4SLC6A2
SCHEMBL9846977 0.75 POLB (0.56) ALDH1A1L3MBTL1PSMB1PSMB5PSMB2
Hydrochloric Acid SCHEMBL2462369 0.75 HRH1 (0.69) HRH1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL3288360 0.74 SLC6A4 (0.65) HRH1ALDH1A1L3MBTL1SLC6A4SLC6A2
SCHEMBL641336 0.74 SLC6A4 (0.63) HRH1ALDH1A1SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL3756439 0.74 HRH1 (0.53) HRH1ALDH1A1L3MBTL1SLC6A4SLC6A2
SCHEMBL9798466 0.74 CTNNB1 (0.46) ALDH1A1L3MBTL1ESR1ESR2ADORA3

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-0413233-A2 Copolyamides with higher glas transition temperature BAYER AG (DE) 1991-02-20 EP disclosed