SCHEMBL6637592

SCHEMBL6637592

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NC3(C(=O)N(C)CCc4cccnc4)CCCC3)oc(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.49
ELANE P08246 2/20 0.49
IGLV6-57 P01721 2/20 0.34
NAMPT P43490 4/20 0.34
CYP3A4 P08684 5/20 0.32
PDE7B Q9NP56 1/20 0.31
HTR2C P28335 1/20 0.30
NAPEPLD Q6IQ20 1/20 0.30

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
SCHEMBL6640507 0.97 CTRB1 (0.50) CTRB1ELANEIGLV6-57NAMPTCYP3A4
SCHEMBL6712777 0.93 CTRB1 (0.50) CTRB1ELANENAMPTCYP3A4PDE7B
SCHEMBL6637568 0.92 CTRB1 (0.49) CTRB1ELANENAMPTCYP3A4PDE7B
SCHEMBL6637693 0.92 CTRB1 (0.49) CTRB1ELANE
SCHEMBL6636735 0.91 CTRB1 (0.49) CTRB1ELANE
SCHEMBL6637147 0.90 CTRB1 (0.51) CTRB1ELANENAMPTCYP3A4PDE7B
SCHEMBL6637178 0.89 CTRB1 (0.51) CTRB1ELANE
SCHEMBL6635312 0.87 CTRB1 (0.51) CTRB1ELANEPDE7B
SCHEMBL6642417 0.86 CTRB1 (0.51) CTRB1ELANEPDE7B
SCHEMBL6634354 0.86 CTRB1 (0.53) CTRB1ELANEIGLV6-57NAMPTCYP3A4

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