SCHEMBL9129257

SCHEMBL9129257

CN1CCN(CCOc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.60
PLG P00747 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HTR1A P08908 6/20 0.53
HTR7 P34969 6/20 0.53
TBXA2R P21731 5/20 0.51
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 2/20 0.47
HTR6 P50406 2/20 0.47
LSS P48449 1/20 0.47
AIMP2 Q13155 1/20 0.47
ABCB1 P08183 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL9126892 0.91 F2 (0.61) F2PLGMEN1KMT2AHTR1A
SCHEMBL9128289 0.88 LSS (0.55) MEN1KMT2AHTR1AHTR7TBXA2R
SCHEMBL9127860 0.83 MEN1 (0.58) F2MEN1KMT2AHTR1AHTR7
SCHEMBL9126951 0.81 F2 (0.69) F2PLGMEN1KMT2ATBXA2R
SCHEMBL10446945 0.81 F2 (0.66) F2PLGMEN1KMT2ATBXA2R
SCHEMBL9129898 0.81 F2 (0.68) F2PLGMEN1KMT2ATBXA2R
Hydrochloric Acid SCHEMBL9132077 0.80 F2 (0.68) F2PLGMEN1KMT2ATBXA2R
SCHEMBL9128145 0.80 F2 (0.68) F2PLGMEN1KMT2ATBXA2R
SCHEMBL9128510 0.79 F2 (0.67) F2PLGMEN1KMT2ATBXA2R
SCHEMBL9127531 0.79 LTA4H (0.59) MEN1KMT2AHTR1AHTR7TBXA2R

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
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP disclosed
EP-0564499-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1993-10-13 EP disclosed
WO-1992011234-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed