SCHEMBL7971241

SCHEMBL7971241

NC[C@H](N)COCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
HRH1 P35367 2/20 0.46
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
ABCB1 P08183 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
PARP10 Q53GL7 1/20 0.41
SYK P43405 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7971244 1.00 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7416543 0.79 SCN4A (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7416546 0.79 SCN4A (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22420945 0.78 TACR1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28304769 0.78 HRH1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL493397 0.78 HRH1 (0.52) HRH1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL2608863 0.77 ALDH1A1 (0.47) HRH1PRMT5WDR77SMN1; SMN2NPC1
SCHEMBL8458982 0.77 HRH1 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL230643 0.77 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL27710379 0.76 SMN1; SMN2 (0.50) HRH1SMN1; SMN2NPC1LMNARAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed