SCHEMBL7970805

SCHEMBL7970805

CCN(CC)C1CCN(C(=O)Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.43
CBX7 O95931 2/20 0.42
CDYL2 Q8N8U2 2/20 0.42
CDYL Q9Y232 2/20 0.42
CDY1; CDY1B Q9Y6F8 1/20 0.39
ALDH1A1 P00352 2/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.34
GAA P10253 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
PARP1 P09874 1/20 0.33
MAPT P10636 1/20 0.33
POLR1A O95602 1/20 0.33
HTR1A P08908 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
SCHEMBL13616203 0.89 KMT2A (0.40) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL3431068 0.89 KMT2A (0.40) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL8140198 0.85 DRD3 (0.44)
SCHEMBL19009679 0.82 ALDH1A1 (0.44) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL7965189 0.82 ALDH1A1 (0.41) ALDH1A1KMT2A
SCHEMBL3940873 0.81 ACKR3 (0.43) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL19000005 0.78 ACKR3 (0.41) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL19652207 0.78 ACKR3 (0.41) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL26343464 0.78 ACKR3 (0.53) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL3068209 0.78 L3MBTL3 (0.56) CDYLCDY1; CDY1BALDH1A1L3MBTL3KMT2A

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
US-6268381-B1 Taxane derivatives KABUSHIKI KAISHA YAKULT HONSHA (JP) 2001-07-31 US disclosed
EP-1044971-A1 TAXANE DERIVATIVES Kabushiki Kaisha Yakult Honsha (JP) 2000-10-18 EP disclosed