SCHEMBL7905129

SCHEMBL7905129

COC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 5/20 0.57
▸ RAB9A P51151 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ TYMS P04818 2/20 0.51
▸ CA2 P00918 2/20 0.50
▸ ERAP2 Q6P179 4/20 0.48
▸ ERAP1 Q9NZ08 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ GRIA1 P42261 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ ACACB O00763 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CTSL P07711 1/20 0.44

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
SCHEMBL11907457 0.91 LNPEP (0.67) LNPEPRAB9AGAATYMSCA2
SCHEMBL7613514 0.87 RAB9A (0.64) LNPEPRAB9AGAACA2ERAP2
SCHEMBL7511247 0.86 LNPEP (0.76) LNPEPRAB9AGAATYMSCA2
SCHEMBL7511243 0.86 LNPEP (0.76) LNPEPRAB9AGAATYMSCA2
SCHEMBL3975596 0.85 LNPEP (0.60) LNPEPRAB9AGAATYMSCA2
SCHEMBL3975599 0.85 LNPEP (0.60) LNPEPRAB9AGAATYMSCA2
SCHEMBL9088699 0.84 RAB9A (0.71) LNPEPRAB9AGAACA2ERAP2
SCHEMBL9088697 0.84 RAB9A (0.71) LNPEPRAB9AGAACA2ERAP2
SCHEMBL6093237 0.84 GAA (0.64) LNPEPRAB9AGAAALDH1A1LMNA
SCHEMBL16846615 0.84 LNPEP (0.59) LNPEPRAB9AGAATYMSCA2

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-6197794-B1 ANTIINFLAMAMTORY AGENTS; IMMUNOLOGY DISEASES CELLTECH THERAPEUTICS LIMITED (GB) 2001-03-06 — — US disclosed
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