SCHEMBL6639583

SCHEMBL6639583

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N(CCc3ccccc3)C(=O)N(C)CCc3cccnc3)oc(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.49
ELANE P08246 1/20 0.49
CTSK P43235 2/20 0.35
IGLV6-57 P01721 1/20 0.35
NAMPT P43490 2/20 0.35
CYP3A4 P08684 8/20 0.34
P2RX7 Q99572 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HTR2C P28335 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL6638443 0.96 CTRB1 (0.47) CTRB1ELANECTSKIGLV6-57NAMPT
SCHEMBL6636983 0.93 CTRB1 (0.46) CTRB1ELANECTSKIGLV6-57NAMPT
SCHEMBL6637653 0.93 CTRB1 (0.51) CTRB1ELANECTSKP2RX7MAPT
SCHEMBL6637590 0.90 CTRB1 (0.49) CTRB1ELANECTSKCYP3A4P2RX7
SCHEMBL6640954 0.87 CTRB1 (0.51) CTRB1ELANEIGLV6-57NAMPTCYP3A4
SCHEMBL6640957 0.87 CTRB1 (0.46) CTRB1ELANEIGLV6-57NAMPTCYP3A4
SCHEMBL6639087 0.86 CTRB1 (0.49) CTRB1ELANEIGLV6-57NAMPTCYP3A4
SCHEMBL6722616 0.86 CTRB1 (0.48) CTRB1ELANECTSKP2RX7TAAR1
SCHEMBL6636633 0.86 CTRB1 (0.46) CTRB1ELANECTSKP2RX7
SCHEMBL6634617 0.85 CTRB1 (0.47) CTRB1ELANECTSKP2RX7

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