SCHEMBL11032708

SCHEMBL11032708

C=CCn1[c]nc(=O)cn1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
ADORA2A P29274 1/20 0.31
ADORA2B P29275 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
SCHEMBL4591384 0.66
SCHEMBL4463024 0.62 KDM4E (0.31) CYP3A4
SCHEMBL1140198 0.57
SCHEMBL10797176 0.57 CYP3A4 (0.35) CYP3A4ADORA2AADORA2B
SCHEMBL4976644 0.57 SMN1; SMN2 (0.39)
SCHEMBL10374777 0.56 HTT (0.44) CYP3A4
SCHEMBL11241808 0.56 GRIA1 (0.47) CYP3A4ADORA2AADORA2B
SCHEMBL30861196 0.56 CYP3A4 (0.48) CYP3A4ADORA2AADORA2B
SCHEMBL17443537 0.55 CASP3 (0.55) CYP3A4
SCHEMBL333505 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4520193-A Cephalosporin derivatives RHONE-POULENC INDUSTRIES (FR) 1985-05-28 US disclosed
US-4399135-A ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1983-08-16 US disclosed
US-4399135-A ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1983-08-16 US disclosed
US-4370478-A Oxacephalosporins RHONE-POULENC INDUSTRIES (FR) 1983-01-25 US disclosed
US-4369315-A ANTIBIOTIC RHONE-POULENC INDUSTRIES (FR) 1983-01-18 US disclosed
US-4369314-A Oxacephalosporins RHONE-POULENC INDUSTRIES (FR) 1983-01-18 US disclosed