SCHEMBL10486108

SCHEMBL10486108

CCOC(=O)c1ccc(N2CCN(CCC(O)COc3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
HTR7 P34969 3/20 0.56
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
ABCB1 P08183 6/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL10485693 0.90 HTR7 (0.63) MAPTHTR7ABCB1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL10485667 0.89 HTR7 (0.62) MAPTHTR7ABCB1SMN1; SMN2MAPK1
SCHEMBL10485560 0.87 HTR7 (0.72) MAPTHTR7ABCB1TDP1ADRB2
SCHEMBL10485984 0.86 HTR7 (0.58) MAPTHTR7ALDH1A1ABCB1SMN1; SMN2
SCHEMBL10901035 0.85 ALDH1A1 (0.58) MAPTALDH1A1TSHR
SCHEMBL10485585 0.85 MAPT (0.70) MAPTHTR7ALDH1A1TSHRTDP1
SCHEMBL10485995 0.84 HTR7 (0.56) MAPTHTR7ALDH1A1ABCB1SMN1; SMN2
SCHEMBL10485545 0.83 MAPT (0.63) MAPTHTR7ALDH1A1TSHRTDP1
SCHEMBL10485596 0.83 HTR7 (0.80) MAPTHTR7ALDH1A1ABCB1MAPK1
Hydrochloric Acid SCHEMBL10485689 0.82 HTR7 (0.78) MAPTHTR7ALDH1A1ABCB1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4882330-A 1-aryloxy-4-[((4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1989-11-21 US disclosed
EP-0269383-A2 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-06-01 EP disclosed