SCHEMBL6181848

SCHEMBL6181848

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
DRD2 P14416 2/20 0.53
ATM Q13315 1/20 0.48
GRM2 Q14416 1/20 0.46
DRD4 P21917 1/20 0.46
MAPK1 P28482 1/20 0.45
OPRM1 P35372 1/20 0.42
HTR7 P34969 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
HTR2C P28335 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
SCHEMBL6179069 0.91 MEN1 (0.67) MEN1KMT2ADRD2ATMGRM2
SCHEMBL6178229 0.88 MEN1 (0.55) MEN1KMT2ADRD2ATMGRM2
SCHEMBL6180651 0.88 MEN1 (0.56) MEN1KMT2ADRD2ATMGRM2
SCHEMBL6180433 0.85 MEN1 (0.53) MEN1KMT2ADRD2ATMGRM2
SCHEMBL6180428 0.84 MEN1 (0.50) MEN1KMT2ADRD2ATMGRM2
SCHEMBL6070259 0.80 DRD2 (0.51) DRD2MAPK1
SCHEMBL6070108 0.80 DRD2 (0.51) DRD2MAPK1
Cyclohexane SCHEMBL6180435 0.78 MEN1 (0.48) MEN1KMT2ADRD2ATMDRD4
SCHEMBL7968854 0.78 CCNT1 (0.48) MEN1KMT2ADRD2ATMGRM2
SCHEMBL6068249 0.77 DRD2 (0.55) MEN1KMT2ADRD2ATMGRM2

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