SCHEMBL6637258

SCHEMBL6637258

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N(C)[C@@H](C)C(=O)N(C)CCc3ccncc3)oc(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
ELANE P08246 2/20 0.51
CYP17A1 P05093 3/20 0.34
TAAR1 Q96RJ0 1/20 0.31
CTSK P43235 2/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
P2RX7 Q99572 1/20 0.30
AAK1 Q2M2I8 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
SCHEMBL6640954 0.91 CTRB1 (0.51) CTRB1ELANE
SCHEMBL6636916 0.89 CTRB1 (0.50) CTRB1ELANECYP17A1TAAR1CTSK
SCHEMBL6641428 0.88 CTRB1 (0.52) CTRB1ELANE
SCHEMBL6636920 0.86 CTRB1 (0.52) CTRB1ELANECYP17A1TAAR1CTSK
SCHEMBL6637518 0.86 CTRB1 (0.53) CTRB1ELANECYP17A1
SCHEMBL6637653 0.85 CTRB1 (0.51) CTRB1ELANECYP17A1TAAR1CTSK
SCHEMBL6637260 0.85 CTRB1 (0.46) CTRB1ELANECYP17A1PPARG
SCHEMBL6636633 0.85 CTRB1 (0.46) CTRB1ELANECYP17A1CTSKP2RX7
SCHEMBL6636428 0.84 ELANE (0.57) CTRB1ELANECYP17A1
SCHEMBL6637590 0.84 CTRB1 (0.49) CTRB1ELANECYP17A1TAAR1CTSK

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