SCHEMBL8807153

SCHEMBL8807153

COc1cc(C(C#N)CCN2CCCCC2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.54
ATM Q13315 1/20 0.54
KDM4E B2RXH2 5/20 0.52
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
ACHE P22303 2/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8805003 0.99 CCR1 (0.55) CCR1ATMKDM4EHTTALDH1A1
SCHEMBL8807446 0.87 CCR1 (0.53) CCR1KDM4EALDH1A1ACHETSHR
SCHEMBL9719915 0.81 CCR1 (0.48) CCR1KDM4EALDH1A1ACHE
SCHEMBL13108748 0.78 KDM4E (0.59) ATMKDM4EHTTALDH1A1POLB
SCHEMBL29061980 0.75 PTGS2 (0.47) CCR1ACHEMAPK1
SCHEMBL10910082 0.75 PTGS2 (0.47) CCR1ACHEMAPK1
SCHEMBL8806033 0.74 ATM (0.55) ATMKDM4EHTTPOLBTSHR
Hydrochloric Acid SCHEMBL8804181 0.73 ATM (0.54) ATMKDM4EHTTPOLBTSHR
SCHEMBL8806761 0.73 CCR1 (0.43) CCR1ACHE
SCHEMBL11647298 0.73 CCR1 (0.49) CCR1HTTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633288-A EXPECTORANT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-05-27 US disclosed
EP-0555481-B1 TRI(C1-C6 ALKOXY)BENZENE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1997-01-22 EP disclosed
US-5498635-A RESPIRATORY DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-03-12 US disclosed
US-5401775-A Pulmonary surfactant secretion promoter YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-28 US disclosed
EP-0555481-A1 TRI(C1-C6 ALKOXY)BENZENE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-18 EP disclosed