SCHEMBL10995802

SCHEMBL10995802

CCCC(=O)NC1CC[N]CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
NCOR2 Q9Y618 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
SCHEMBL8827588 0.87 GNAI3 (0.62) SMN1; SMN2GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL20581686 0.86 SMN1; SMN2 (0.56) SMN1; SMN2MTNR1AMTNR1BGNAI3GNAO1
SCHEMBL5988081 0.86
SCHEMBL14199968 0.86 SMN1; SMN2 (0.56) SMN1; SMN2MTNR1AMTNR1BGNAI3GNAO1
SCHEMBL1489877 0.84 MTNR1A (0.44) SMN1; SMN2MTNR1AMTNR1BGNAI3GNAO1
SCHEMBL20999175 0.82 SMN1; SMN2 (0.63) SMN1; SMN2MTNR1AMTNR1BGNAI3GNAO1
SCHEMBL2752779 0.82 SMN1; SMN2 (0.69) SMN1; SMN2MTNR1AMTNR1BGNAI3GNAO1
SCHEMBL931479 0.80 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1HPGDMAPTKMT2A
SCHEMBL11804456 0.80 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1HPGDMAPTKMT2A
Hydrochloric Acid SCHEMBL27942584 0.80 SMN1; SMN2 (0.61) SMN1; SMN2MTNR1AMTNR1BGNAI3GNAO1

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-4552879-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-11-12 US disclosed
US-4399134-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-08-16 US disclosed