SCHEMBL6180428

SCHEMBL6180428

COc1ccccc1C1CCN(C[C@@H](Cc2ccncc2)C(N)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.50
KMT2A Q03164 11/20 0.50
DRD2 P14416 3/20 0.48
GRM2 Q14416 1/20 0.45
ATM Q13315 1/20 0.44
DRD4 P21917 3/20 0.44
MAPK1 P28482 1/20 0.44
CHRM4 P08173 1/20 0.44
CACNA1G O43497 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL6180578 0.89 MEN1 (0.50) MEN1KMT2ADRD2GRM2ATM
SCHEMBL6181848 0.84 MEN1 (0.55) MEN1KMT2ADRD2GRM2ATM
SCHEMBL6176757 0.82 KMT2A (0.48) MEN1KMT2ADRD2ATMDRD4
SCHEMBL6180433 0.81 MEN1 (0.53) MEN1KMT2ADRD2GRM2ATM
Cyclohexane SCHEMBL6180435 0.80 MEN1 (0.48) MEN1KMT2ADRD2ATMDRD4
SCHEMBL7155140 0.80 MEN1 (0.54) MEN1KMT2ADRD2GRM2ATM
SCHEMBL6068330 0.80 MEN1 (0.54) MEN1KMT2ADRD2GRM2ATM
SCHEMBL6177728 0.78 HTR1A (0.56) MEN1KMT2ADRD2ATMDRD4
SCHEMBL6181828 0.77 MEN1 (0.45) MEN1KMT2ADRD2ATMDRD4
SCHEMBL6180627 0.77 DRD4 (0.51) MEN1KMT2ADRD2ATMDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140830-B1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY WYETH CORP (US) 2005-05-04 EP claimed
US-6503928-B2 Central nervous system disorders; psychological disorders WYETH 2003-01-07 US disclosed