SCHEMBL7985234

SCHEMBL7985234

CCOC(=O)C1(c2ccc3c(c2)nc(Cc2ccc(C#N)cc2)c(=O)n3C)CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 12/20 0.69
▸ F10 P00742 10/20 0.69
▸ PLG P00747 8/20 0.69
▸ PRSS1 P07477 3/20 0.51
▸ PRSS2 P07478 2/20 0.51
▸ PRSS3 P35030 2/20 0.51
▸ OPRM1 P35372 2/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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
Hydrochloric Acid SCHEMBL7977762 0.85 F2 (0.91) F2F10PLGPRSS1PRSS2
SCHEMBL7426925 0.84 F2 (0.72) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7981375 0.81 F2 (0.98) F2F10PLGPRSS1PRSS2
SCHEMBL7426354 0.79 F2 (0.55) F2F10PLGPRSS1PRSS2
SCHEMBL7979862 0.79 F2 (0.65) F2F10PLGPRSS1PRSS2
SCHEMBL7979859 0.78 F2 (0.48) F2F10PLGPRSS1PRSS2
SCHEMBL7968917 0.76 F2 (0.48) F2F10PLGPRSS1PRSS2
SCHEMBL7425127 0.75 F2 (0.48) F2F10PLGPRSS1PRSS2
SCHEMBL8016597 0.74 F2 (0.46) F2F10PLGPRSS1PRSS2
SCHEMBL7968268 0.73 F2 (0.45) F2F10PLGPRSS1PRSS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 — — US disclosed
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