SCHEMBL8481972

SCHEMBL8481972

Nc1nnc(SCCCN2CCCCC2)s1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.59
GRIN2A Q12879 1/20 0.59
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ATM Q13315 1/20 0.52
HRH3 Q9Y5N1 1/20 0.49
TMEM97 Q5BJF2 2/20 0.47
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 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
SCHEMBL8480845 0.91 GRIN2B (0.57) GRIN2BGRIN2AALDH1A1L3MBTL1ATM
SCHEMBL8583074 0.81 ATM (0.61) GRIN2BALDH1A1L3MBTL1ATMSMN1; SMN2
SCHEMBL11663107 0.79 ALOX15 (0.47) GRIN2BALDH1A1L3MBTL1ATMHRH3
Hydrochloric Acid SCHEMBL7327104 0.78 GRIN2B (0.71) GRIN2BGRIN2AALDH1A1L3MBTL1HRH3
Hydrochloric Acid SCHEMBL11654776 0.77 ALOX15 (0.46) GRIN2BALDH1A1L3MBTL1ATMHRH3
SCHEMBL4608739 0.77 GRIN2B (0.52) GRIN2BGRIN2AALDH1A1TMEM97DRD2
SCHEMBL6375003 0.76 GRIN2B (0.55) GRIN2BGRIN2AALDH1A1ATMSMN1; SMN2
SCHEMBL31715306 0.74 GRIN2B (0.47) GRIN2BGRIN2AALDH1A1ATMLMNA
Hydrochloric Acid SCHEMBL9151919 0.74 GRIN2B (0.57) GRIN2BGRIN2AALDH1A1DRD2DRD3
SCHEMBL15362563 0.74 ALDH1A1 (0.68) ALDH1A1L3MBTL1LMNATP53HPGD

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
US-5912258-A ANTISECRETORY AGENTS; GASTROINTESTINAL DISORDERS SHISEIDO CO., LTD. (JP) 1999-06-15 US disclosed