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SCHEMBL6637600

SCHEMBL6637600

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCCC(C(=O)N(C)CCc3ccncc3)c3ccccc3)oc(=O)c12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 8/20 0.57
▸ CTRB1 P17538 4/20 0.57
▸ CTSK P43235 2/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ P2RX7 Q99572 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
SCHEMBL6637660 0.93 ELANE (0.58) ELANECTRB1CTSKTAAR1CYP17A1
SCHEMBL6638450 0.93 CTRB1 (0.55) ELANECTRB1CTSK
SCHEMBL6634622 0.90 CTRB1 (0.56) ELANECTRB1
SCHEMBL6636920 0.86 CTRB1 (0.52) ELANECTRB1CTSKTAAR1CYP17A1
SCHEMBL6635647 0.86 ELANE (0.60) ELANECTRB1
SCHEMBL6639590 0.86 CTRB1 (0.56) ELANECTRB1P2RX7
SCHEMBL6639124 0.86 ELANE (0.57) ELANECTRB1
SCHEMBL6637344 0.85 ELANE (0.51) ELANECTRB1CYP17A1
SCHEMBL6636428 0.84 ELANE (0.57) ELANECTRB1CYP17A1
SCHEMBL6636149 0.81 CTRB1 (0.53) ELANECTRB1CYP17A1P2RX7

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