SCHEMBL7447602

SCHEMBL7447602

O=C(O)N1CCN(C(=O)NCCCC2CCNCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 7/20 0.56
TPSD1 Q9BZJ3 7/20 0.56
TPSG1 Q9NRR2 7/20 0.56
NAMPT P43490 2/20 0.56
PRSS1 P07477 3/20 0.48
ITGB3 P05106 9/20 0.47
ITGA2B P08514 9/20 0.47
F2R P25116 6/20 0.43
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
F2 P00734 1/20 0.40
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39

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
SCHEMBL7446751 0.91 TPSAB1 (0.66) TPSAB1TPSD1TPSG1NAMPTPRSS1
SCHEMBL7446694 0.86 TPSAB1 (0.64) TPSAB1TPSD1TPSG1NAMPTPRSS1
SCHEMBL7452238 0.80 ITGB3 (0.63) TPSAB1TPSD1TPSG1NAMPTITGB3
SCHEMBL30014708 0.80 ITGB3 (0.68) TPSAB1TPSD1TPSG1NAMPTITGB3
SCHEMBL2327248 0.78 NAMPT (0.49) TPSAB1TPSD1TPSG1NAMPTITGB3
SCHEMBL7449488 0.78 ITGB3 (0.69) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8393556 0.77 TPSAB1 (0.45) TPSAB1TPSD1TPSG1NAMPT
SCHEMBL4470355 0.76 ITGB3 (0.58) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8392645 0.75 CHRM1 (0.47) TPSAB1TPSD1TPSG1NAMPT
SCHEMBL8394509 0.75 TPSAB1 (0.47) TPSAB1TPSD1TPSG1NAMPTPRSS1

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-0934293-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1999-08-11 EP disclosed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 WO disclosed