SCHEMBL7419540

SCHEMBL7419540

CCC1(CC)CNc2c(cccc2S(=O)(=O)Cl)C1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.30
▸ F10 P00742 1/20 0.30
▸ KLK1 P06870 1/20 0.30
▸ CTRC Q99895 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL7415948 0.81 F2 (0.38) F2F10KLK1CTRC
SCHEMBL7422449 0.69 F2 (0.34) F2
SCHEMBL7422444 0.69 F2 (0.34) F2
SCHEMBL17492502 0.69 PARP1 (0.38) F2
SCHEMBL7421168 0.69 CYP3A4 (0.30) —
SCHEMBL7419402 0.68 F2 (0.41) F2
SCHEMBL7419399 0.68 F2 (0.41) F2
SCHEMBL8986732 0.68 F2 (0.41) F2
SCHEMBL7423714 0.67 SRC (0.47) F2
SCHEMBL7417421 0.67 F2 (0.40) F2F10KLK1CTRC

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
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 — — EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 — — WO disclosed
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