SCHEMBL9601295

SCHEMBL9601295

Cn1cnnc1NCCCN

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.37
SYK P43405 3/20 0.37
ZAP70 P43403 2/20 0.37
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KCNH2 Q12809 1/20 0.33
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL2392854 0.62
SCHEMBL3538235 0.62
SCHEMBL3540174 0.62
Bromide SCHEMBL11321511 0.62 CYP2C9 (0.38) HRH3
SCHEMBL4034561 0.60 SMN1; SMN2 (0.36) CYP1A2HIF1AHSD17B10ADORA1
SCHEMBL11315263 0.59 CYP1A2 (0.59) CYP1A2HSD17B10HRH3
SCHEMBL30832992 0.59 PIM1 (0.39) HRH3
SCHEMBL8046837 0.58 HRH3 (0.45) HSD17B10HRH3
SCHEMBL10936259 0.58 GAA (0.44) HSD17B10
SCHEMBL11324922 0.58 GOT1 (0.52) SYKHSD17B10HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed