SCHEMBL6635009

SCHEMBL6635009

CCN(C(=O)N(C)Cc1ccccn1)c1nc2ccc(NC(=O)OC(C)(C)C)c(C)c2c(=O)o1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.49
CTRB1 P17538 2/20 0.49
TDP2 O95551 1/20 0.34
CNR2 P34972 1/20 0.33
P2RX7 Q99572 1/20 0.32
TSHR P16473 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
METAP1 P53582 1/20 0.30
SREBF2 Q12772 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
SCHEMBL6637788 0.92 CTRB1 (0.48) ELANECTRB1TDP2NPC1RAB9A
SCHEMBL6722616 0.90 CTRB1 (0.48) ELANECTRB1TDP2P2RX7TSHR
SCHEMBL6639120 0.89 CTRB1 (0.47) ELANECTRB1TDP2P2RX7TSHR
SCHEMBL6401408 0.88 CTRB1 (0.54) ELANECTRB1TDP2P2RX7TSHR
SCHEMBL6637372 0.86 ELANE (0.53) ELANECTRB1TDP2P2RX7TSHR
SCHEMBL6637376 0.85 CTRB1 (0.49) ELANECTRB1TDP2TSHREGFR
SCHEMBL6639534 0.84 CTRB1 (0.41) ELANECTRB1TSHRNPC1RAB9A
SCHEMBL6637170 0.83 CTRB1 (0.40) ELANECTRB1TSHRNPC1RAB9A
SCHEMBL6634617 0.83 CTRB1 (0.47) ELANECTRB1P2RX7NPC1RAB9A
SCHEMBL6639603 0.83 CTRB1 (0.50) ELANECTRB1TDP2P2RX7TSHR

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 3 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 claimed
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