SCHEMBL6178229

SCHEMBL6178229

COc1ccccc1C1CCN(C[C@H](N)Cc2cccnc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
DRD2 P14416 2/20 0.50
TRPV6 Q9H1D0 1/20 0.48
ATM Q13315 1/20 0.46
MAPK1 P28482 1/20 0.45
GRM2 Q14416 1/20 0.44
DRD4 P21917 1/20 0.44
HTR7 P34969 2/20 0.42
PDE4A P27815 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 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
SCHEMBL7968854 0.89 CCNT1 (0.48) MEN1KMT2ADRD2TRPV6ATM
SCHEMBL6181848 0.88 MEN1 (0.55) MEN1KMT2ADRD2TRPV6ATM
SCHEMBL6179069 0.88 MEN1 (0.67) MEN1KMT2ADRD2ATMMAPK1
SCHEMBL6180581 0.86 MEN1 (0.53) MEN1KMT2ADRD2TRPV6ATM
SCHEMBL6180578 0.85 MEN1 (0.50) MEN1KMT2ADRD2TRPV6ATM
SCHEMBL6180651 0.83 MEN1 (0.56) MEN1KMT2ADRD2ATMMAPK1
SCHEMBL6069916 0.81 DRD2 (0.55) MEN1KMT2ADRD2MAPK1DRD4
SCHEMBL6070129 0.81 DRD2 (0.55) MEN1KMT2ADRD2MAPK1DRD4
Cyclohexane SCHEMBL6178387 0.80 MEN1 (0.48) MEN1KMT2ADRD2TRPV6MAPK1
SCHEMBL6178420 0.78 HTR1A (0.54) MEN1KMT2ADRD2TRPV6MAPK1

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