SCHEMBL10486115

SCHEMBL10486115

CC(=O)c1ccc(N2CCN(CCC(O)COc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.80
ABCB1 P08183 4/20 0.64
MAPT P10636 3/20 0.61
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KCNH2 Q12809 3/20 0.58
KMT2A Q03164 1/20 0.55
SOD1 P00441 1/20 0.54
RECQL P46063 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL10486189 0.90 KCNH2 (0.70) HTR7MAPTLMNASMN1; SMN2KCNH2
SCHEMBL10486111 0.89 ABCB1 (0.80) HTR7ABCB1MAPTSMN1; SMN2KMT2A
SCHEMBL10485596 0.89 HTR7 (0.80) HTR7ABCB1MAPTLMNAKMT2A
SCHEMBL10485560 0.89 HTR7 (0.72) HTR7ABCB1MAPTKMT2A
Hydrochloric Acid SCHEMBL10485620 0.89 KCNH2 (0.68) HTR7MAPTLMNASMN1; SMN2KCNH2
Hydrochloric Acid SCHEMBL10485689 0.88 HTR7 (0.78) HTR7ABCB1MAPTLMNAKMT2A
SCHEMBL10485693 0.88 HTR7 (0.63) HTR7ABCB1MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10485667 0.87 HTR7 (0.62) HTR7ABCB1MAPTLMNASMN1; SMN2
SCHEMBL10485775 0.87 MAPT (0.79) HTR7MAPTLMNASMN1; SMN2KCNH2
SCHEMBL10486120 0.87 MAPT (0.65) HTR7MAPTLMNASMN1; SMN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
US-4806555-A CARDIAC ARRHYTHMIA INHIBITOR A. H. ROBINS COMPANY, INCORPORATED (US) 1989-02-21 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