SCHEMBL27745558

SCHEMBL27745558

O=C(O)NN1CCCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.55
NOTUM Q6P988 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
GRM7 Q14831 1/20 0.47

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
Hydrochloric Acid SCHEMBL1859868 0.98 SMN1; SMN2 (0.54) SMN1; SMN2POLBRECQLNOTUMMEN1
SCHEMBL7126729 0.90 ALDH1A1 (0.51) SMN1; SMN2POLBNOTUMMEN1KMT2A
SCHEMBL29985725 0.90 ALDH1A1 (0.51) SMN1; SMN2POLBNOTUMMEN1KMT2A
Benzene SCHEMBL7956618 0.87 NOTUM (0.58) SMN1; SMN2POLBRECQLNOTUMMEN1
SCHEMBL1716131 0.87 SMN1; SMN2 (0.56) SMN1; SMN2POLBRECQLNOTUMMEN1
SCHEMBL10440938 0.85 NOTUM (0.59) SMN1; SMN2POLBRECQLNOTUMMEN1
SCHEMBL1859866 0.85 SMN1; SMN2 (0.54) SMN1; SMN2POLBRECQLNOTUMMEN1
SCHEMBL27553596 0.84 TSHR (0.56) SMN1; SMN2POLBRECQLNOTUMMEN1
SCHEMBL10441427 0.82 LIPE (0.56) SMN1; SMN2POLBRECQLNOTUMMEN1
SCHEMBL28941360 0.81 L3MBTL1 (0.64) SMN1; SMN2POLBRECQLNOTUMMEN1

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
CN-101479259-A Urea derivatives of piperidine or pyrrolidine, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-07-08 CN disclosed