SCHEMBL7021172

SCHEMBL7021172

NCc1cccc(C2CCN(C(=O)c3cncc(CCc4ccccc4)c3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 13/20 0.53
F10 P00742 1/20 0.48

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 SCHEMBL4402047 0.99 TPSAB1 (0.52) TPSAB1F10
SCHEMBL7018734 0.93 TPSAB1 (0.46) TPSAB1F10
SCHEMBL7027368 0.93 TPSAB1 (0.45) TPSAB1
Hydrochloric Acid SCHEMBL4395982 0.92 TPSAB1 (0.44) TPSAB1
SCHEMBL7025350 0.89 TPSAB1 (0.42) TPSAB1F10
Hydrochloric Acid SCHEMBL4403352 0.88 TPSAB1 (0.42) TPSAB1F10
SCHEMBL1381265 0.88 TPSAB1 (0.58) TPSAB1
Hydrochloric Acid SCHEMBL4408179 0.87 TPSAB1 (0.57) TPSAB1
SCHEMBL1872130 0.87 HPN (0.47) F10
Hydrochloric Acid SCHEMBL1867557 0.86 HPN (0.46) F10

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-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO disclosed