SCHEMBL14878441

SCHEMBL14878441

CN1CCN(S(=O)(=O)c2cc(F)c(Oc3ccc(F)cc3)c(F)c2)[C@@H](C(N)=O)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.49
▸ FPR2 P25090 4/20 0.49
▸ MMP1 P03956 8/20 0.47
▸ MMP13 P45452 7/20 0.47
▸ MMP3 P08254 6/20 0.47
▸ MMP7 P09237 6/20 0.47
▸ MMP9 P14780 5/20 0.47
▸ ADAM17 P78536 3/20 0.41
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ GHSR Q92847 1/20 0.36

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
SCHEMBL12905375 0.90 MMP1 (0.45) SCN9AFPR2MMP1MMP13MMP3
SCHEMBL778773 0.88 MMP1 (0.63) MMP1MMP13MMP3MMP7MMP9
SCHEMBL14878437 0.85 ALDH1A1 (0.44) MMP1MMP13MMP3MMP7MMP9
SCHEMBL14878455 0.85 MMP1 (0.52) MMP1MMP13MMP3MMP7MMP9
SCHEMBL14878458 0.84 MMP3 (0.49) SCN9AFPR2MMP1MMP13MMP3
SCHEMBL14878430 0.83 MMP1 (0.51) SCN9AFPR2MMP1MMP13MMP3
SCHEMBL14878456 0.82 MMP1 (0.43) MMP1MMP13MMP3MMP7MMP9
SCHEMBL14878432 0.82 SCN9A (0.47) SCN9AFPR2MMP1MMP13MMP3
SCHEMBL14878472 0.81 FPR2 (0.39) SCN9AFPR2MMP1MMP13MMP3
SCHEMBL14878479 0.81 HTR2C (0.38) SCN9AFPR2MMP1MMP13MMP3

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
US-8426415-B2 Human ADAM-10 inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-04-23 — — US disclosed
EP-2436676-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-04-04 — — EP disclosed
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