SCHEMBL25670207

SCHEMBL25670207

CC(C)C(=O)N1CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.47
▸ GAA P10253 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ACACB O00763 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ SLC6A9 P48067 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ CCR2 P41597 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ DPP7 Q9UHL4 2/20 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
SCHEMBL30471103 1.00 RAB9A (0.47) RAB9AGAAALDH1A1MEN1USP2
SCHEMBL30470970 0.96 RAB9A (0.47) RAB9AGAAALDH1A1MEN1USP2
SCHEMBL30471123 0.90 ESR1 (0.49) RAB9AGAAALDH1A1MEN1USP2
SCHEMBL25250671 0.90 ESR1 (0.49) RAB9AGAAALDH1A1MEN1USP2
SCHEMBL25250672 0.90 ESR1 (0.49) RAB9AGAAALDH1A1MEN1USP2
SCHEMBL25209545 0.89 RAB9A (0.49) RAB9AGAAALDH1A1MEN1USP2
SCHEMBL25267628 0.89 RAB9A (0.49) RAB9AGAAALDH1A1MEN1USP2
SCHEMBL30471075 0.89 RAB9A (0.49) RAB9AGAAALDH1A1MEN1USP2
SCHEMBL25250143 0.86 ESR1 (0.51) RAB9AGAAALDH1A1MEN1USP2
SCHEMBL25250140 0.86 ESR1 (0.51) RAB9AGAAALDH1A1MEN1USP2

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
WO-2023094828-A1 ANTAGONISTS OF CAV 2.3 LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 — — WO disclosed
Send feedback