SCHEMBL10485693

SCHEMBL10485693

CCOC(=O)c1ccc(OCC(O)CCN2CCN(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.63
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
KCNH2 Q12809 3/20 0.54
KMT2A Q03164 1/20 0.52
ABCB1 P08183 3/20 0.51
SOD1 P00441 1/20 0.51
RECQL P46063 1/20 0.50
MAPK1 P28482 1/20 0.50
NLRP3 Q96P20 1/20 0.50

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 SCHEMBL10485667 0.99 HTR7 (0.62) HTR7MAPTSMN1; SMN2LMNAKCNH2
SCHEMBL10486108 0.90 MAPT (0.56) HTR7MAPTSMN1; SMN2ABCB1MAPK1
SCHEMBL10486115 0.88 HTR7 (0.80) HTR7MAPTSMN1; SMN2LMNAKCNH2
SCHEMBL10486189 0.86 KCNH2 (0.70) HTR7MAPTSMN1; SMN2LMNAKCNH2
SCHEMBL10486120 0.85 MAPT (0.65) HTR7MAPTSMN1; SMN2LMNAKCNH2
Hydrochloric Acid SCHEMBL10485620 0.85 KCNH2 (0.68) HTR7MAPTSMN1; SMN2LMNAKCNH2
Hydrochloric Acid SCHEMBL10485594 0.84 MAPT (0.64) HTR7MAPTSMN1; SMN2LMNAKCNH2
SCHEMBL10485775 0.83 MAPT (0.79) HTR7MAPTSMN1; SMN2LMNAKCNH2
Hydrochloric Acid SCHEMBL10485836 0.82 MAPT (0.77) HTR7MAPTSMN1; SMN2LMNAKCNH2
SCHEMBL10700125 0.81 HTR1A (0.67) HTR7MAPTSMN1; SMN2KCNH2KMT2A

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