SCHEMBL6637147

SCHEMBL6637147

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NC3(C(=O)N(C)Cc4cccnc4)CC3)oc(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
ELANE P08246 2/20 0.51
RIPK1 Q13546 1/20 0.35
NAMPT P43490 4/20 0.34
PDE7B Q9NP56 1/20 0.34
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33
TNF P01375 1/20 0.32
MAPK1 P28482 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
DHODH Q02127 1/20 0.31
P2RX7 Q99572 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
SCHEMBL6712777 0.97 CTRB1 (0.50) CTRB1ELANERIPK1NAMPTPDE7B
SCHEMBL6637568 0.96 CTRB1 (0.49) CTRB1ELANERIPK1NAMPTPDE7B
SCHEMBL6640507 0.93 CTRB1 (0.50) CTRB1ELANENAMPTCYP3A4P2RX7
SCHEMBL6637592 0.90 CTRB1 (0.49) CTRB1ELANENAMPTPDE7BCYP3A4
SCHEMBL6634252 0.88 CTRB1 (0.51) CTRB1ELANE
SCHEMBL6638831 0.86 CTRB1 (0.54) CTRB1ELANERIPK1NAMPTRAB9A
SCHEMBL6637178 0.85 CTRB1 (0.51) CTRB1ELANE
SCHEMBL6637693 0.82 CTRB1 (0.49) CTRB1ELANE
SCHEMBL6636735 0.82 CTRB1 (0.49) CTRB1ELANE
SCHEMBL6634805 0.82 CTRB1 (0.53) CTRB1ELANEPDE7BRAB9A

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-20040116420-A1 Remedial agent for viral infectious disease ASAHI KASEI PHARMA CORPORATION (JP) 2004-06-17 US disclosed
EP-1403269-A1 REMEDIAL AGENT FOR VIRAL INFECTIOUS DISEASE Asahi Kasei Pharma Corporation (JP) 2004-03-31 EP disclosed