SCHEMBL13980906

SCHEMBL13980906

Cc1ccc(N(C=O)C2CCNCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.42
SLC6A2 P23975 6/20 0.42
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
TACR1 P25103 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
SLC6A3 Q01959 3/20 0.33
HTR2C P28335 2/20 0.33
KDM1A O60341 2/20 0.33
TP53 P04637 1/20 0.33
ADRB1 P08588 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4136645 0.83 SLC6A4 (0.43) SLC6A4SLC6A2MEN1CYP2D6KMT2A
SCHEMBL5774531 0.80 MKNK1 (0.35) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL4577662 0.75 SLC6A4 (0.46) SLC6A4SLC6A2MEN1CYP2D6KMT2A
SCHEMBL4617051 0.75 HTR2C (0.45) SLC6A4SLC6A2GABRA1GABRB2SLC6A3
SCHEMBL16503429 0.71 SLC6A2 (0.57) SLC6A4SLC6A2MEN1CYP2D6KMT2A
SCHEMBL24230522 0.69 DDB1 (0.36) HTR2CALDH1A1
SCHEMBL7295719 0.69 KIF11 (0.41) ALDH1A1
SCHEMBL3245656 0.69 HTT (0.36) SLC6A4SLC6A2MEN1KMT2ATRPM8
SCHEMBL2323552 0.68 SLC6A4 (0.38) SLC6A4SLC6A2MEN1CYP2D6KMT2A
SCHEMBL14855593 0.67 TRPM8 (0.41) MEN1KMT2ATRPM8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1396487-B1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-12-10 EP disclosed