SCHEMBL9750864

SCHEMBL9750864

CS(=O)(=O)OC(COc1ccc(Cl)cc1Cl)CN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ATM Q13315 2/20 0.56
DRD4 P21917 6/20 0.51
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
ABCB1 P08183 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL9750908 0.89 KMT2A (0.45) KMT2AMEN1ATMDRD4SLC6A2
SCHEMBL9750861 0.85 KMT2A (0.72) KMT2AMEN1ATMDRD4ABCB1
SCHEMBL9750911 0.81 KMT2A (0.81) KMT2AMEN1ATMDRD4ABCB1
Hydrochloric Acid SCHEMBL9751034 0.81 KMT2A (0.80) KMT2AMEN1ATMDRD4ABCB1
SCHEMBL9750904 0.75 KMT2A (0.57) KMT2AMEN1ATMDRD4ABCB1
Hydrochloric Acid SCHEMBL9751006 0.70 DRD4 (0.68) KMT2AMEN1ATMDRD4ABCB1
SCHEMBL31212421 0.68 TRPV4 (0.68) KMT2AMEN1SLC6A2SLC6A4ALDH1A1
SCHEMBL6008837 0.68 SLC6A2 (0.56) KMT2AMEN1ATMDRD4SLC6A2
SCHEMBL6007352 0.68 SLC6A2 (0.53) KMT2AMEN1ATMDRD4SLC6A2
SCHEMBL18177902 0.67 CYP2D6 (0.73) KMT2AMEN1ATMABCB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308328-B1 (BENZYL-PIPERIDINO)-1-PROPANOL-2 DERIVATIVES, THEIR PREPARATION, THEIR USE AS MICROBICIDES AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1991-12-04 EP claimed
US-5036077-A Antiseptics, preservatives, drugs, cosmetics, foods SANOFI (FR) 1991-07-30 US claimed
US-5036077-A Antiseptics, preservatives, drugs, cosmetics, foods SANOFI (FR) 1991-07-30 US disclosed