SCHEMBL27167140

SCHEMBL27167140

C[C@@H]1CN(C(=O)O)CCN1c1cc(Cl)cc(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 11/20 0.44
▸ MMP2 P08253 4/20 0.44
▸ AVPR1A P37288 2/20 0.38
▸ SMO Q99835 1/20 0.37
▸ ADAM17 P78536 4/20 0.36
▸ GRM1 Q13255 2/20 0.35
▸ SLC6A7 Q99884 1/20 0.35
▸ GFER P55789 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL29135473 0.84 SMARCA2 (0.46) ADAMTS5MMP2
SCHEMBL11963066 0.79 ADAMTS5 (0.45) ADAMTS5MMP2AVPR1ASMOGRM1
SCHEMBL29668471 0.77 GBA1 (0.38) —
SCHEMBL14913148 0.75 GRM1 (0.40) SMOGRM1SLC6A7
SCHEMBL25385150 0.74 GAA (0.44) ADAMTS5MMP2AVPR1ASMOGRM1
SCHEMBL28934391 0.74 GAA (0.44) ADAMTS5MMP2AVPR1ASMOGRM1
SCHEMBL25384299 0.74 GAA (0.44) ADAMTS5MMP2AVPR1ASMOGRM1
SCHEMBL11963541 0.73 GFER (0.37) ADAMTS5MMP2SMOGRM1SLC6A7
SCHEMBL11963506 0.73 GRM1 (0.46) ADAMTS5MMP2AVPR1ASMOGRM1
SCHEMBL902065 0.73 GRM1 (0.46) ADAMTS5MMP2AVPR1ASMOGRM1

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
EP-4333982-A1 PKC-THETA MODULATORS Exscientia Al Limited (GB) 2024-03-13 — — EP disclosed
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