SCHEMBL6640957

SCHEMBL6640957

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.46
ELANE P08246 1/20 0.46
IGLV6-57 P01721 2/20 0.36
NAMPT P43490 3/20 0.36
CYP3A4 P08684 8/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RIPK1 Q13546 1/20 0.33
HTR2C P28335 1/20 0.32
CHRNA7 P36544 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
SCHEMBL6637260 0.92 CTRB1 (0.46) CTRB1ELANENPC1RAB9AL3MBTL1
SCHEMBL6638087 0.88 CYP3A4 (0.47) CTRB1ELANENAMPTCYP3A4
SCHEMBL6636983 0.87 CTRB1 (0.46) CTRB1ELANEIGLV6-57NAMPTCYP3A4
SCHEMBL6639583 0.87 CTRB1 (0.49) CTRB1ELANEIGLV6-57NAMPTCYP3A4
SCHEMBL6640954 0.87 CTRB1 (0.51) CTRB1ELANEIGLV6-57NAMPTCYP3A4
SCHEMBL6641432 0.87 CTRB1 (0.48) CTRB1ELANENPC1RAB9A
SCHEMBL6639093 0.86 CTRB1 (0.51) CTRB1ELANEIGLV6-57NAMPTCYP3A4
SCHEMBL6638443 0.85 CTRB1 (0.47) CTRB1ELANEIGLV6-57NAMPTCYP3A4
SCHEMBL6639087 0.85 CTRB1 (0.49) CTRB1ELANEIGLV6-57NAMPTCYP3A4
SCHEMBL6641671 0.84 ELANE (0.52) 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