SCHEMBL14640243

SCHEMBL14640243

CCCCCN(CCC12CCCC3CC(CC1C3)C2)C(=O)NC/C=C\c1ccncc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1677620 0.85 SMN1; SMN2 (0.40) CNR2CNR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL1677828 0.85 SMN1; SMN2 (0.40) CNR2CNR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL1677618 0.85 SMN1; SMN2 (0.40) CNR2CNR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL14419716 0.85 ALDH1A1 (0.35) CNR2CNR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL14640175 0.82 CNR2 (0.31) CNR2CNR1MEN1ALDH1A1GAA
SCHEMBL14640151 0.82 ALDH1A1 (0.33) CNR2CNR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL14640138 0.82 ALDH1A1 (0.33) CNR2CNR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL13635234 0.79 ALDH1A1 (0.33) CNR2CNR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL14582631 0.77 CNR2 (0.37) CNR2CNR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL14582633 0.76 ALDH1A1 (0.33) CNR2CNR1MEN1ALDH1A1GAA

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-1743885-A2 TNF-Alpha Produktion Hemmer zur Behandlung von Autoimmunerkrankungen SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-01-17 EP disclosed