SCHEMBL6583793

SCHEMBL6583793

COc1ccccc1CN(C)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ACHE P22303 7/20 0.53
BCHE P06276 6/20 0.53
CHRM2 P08172 2/20 0.53
CHRM1 P11229 1/20 0.53
HPGD P15428 1/20 0.52
NPC1 O15118 1/20 0.51
AOC3 Q16853 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TACR1 P25103 1/20 0.48
APP P05067 1/20 0.48
IDO1 P14902 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL6583786 0.83 MEN1 (0.62) MEN1KMT2ACRHBPCRHR2GAA
SCHEMBL11622239 0.82 MEN1 (0.50) MEN1KMT2ACRHBPCRHR2GAA
SCHEMBL14540454 0.82 MEN1 (0.74) MEN1KMT2ACRHBPCRHR2GAA
SCHEMBL10674826 0.78 MEN1 (0.44) MEN1KMT2ACRHBPCRHR2GAA
SCHEMBL4556502 0.78 TSHR (0.55) MEN1KMT2ATDP1AOC3LMNA
SCHEMBL17882308 0.77 RIPK1 (0.66) MEN1KMT2ACRHBPCRHR2GAA
SCHEMBL17152231 0.77 MEN1 (0.62) MEN1KMT2ACRHBPCRHR2GAA
SCHEMBL17152229 0.77 MEN1 (0.52) MEN1KMT2ACRHBPCRHR2GAA
SCHEMBL735118 0.76 SLC6A4 (0.68) MEN1KMT2ACRHBPCRHR2CHRM2
SCHEMBL417439 0.76 ACHE (0.63) MEN1KMT2ACRHBPCRHR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865430-B1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ASTRAZENECA AB (SE) 2004-03-03 EP claimed
CN-1202153-A 3-(4-subst.-piperidinyl-1)-1-(3,4-dichlorophenyl) propyl carbamates and ureas and derivatives as neurokinin antagonists ZENECA LTD (GB) 1998-12-16 CN claimed
EP-0865430-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS AstraZeneca AB (SE) 1998-09-23 EP claimed
WO-1997019060-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1997-05-29 WO claimed
EP-0865430-B1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ASTRAZENECA AB (SE) 2004-03-03 EP disclosed
US-6090824-A Therapeutic neurokinin receptor antagonist compounds ZENECA LIMITED (GB) 2000-07-18 US disclosed
CN-1202153-A 3-(4-subst.-piperidinyl-1)-1-(3,4-dichlorophenyl) propyl carbamates and ureas and derivatives as neurokinin antagonists ZENECA LTD (GB) 1998-12-16 CN disclosed
EP-0865430-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS AstraZeneca AB (SE) 1998-09-23 EP disclosed
WO-1997019060-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1997-05-29 WO disclosed