SCHEMBL25209581

SCHEMBL25209581

NC1CCCC(N(Cc2ccccc2)Cc2ccccc2)C1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.48
EBP Q15125 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNA5 P22460 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
AGER Q15109 3/20 0.35
MAOA P21397 1/20 0.35
MTNR1A P48039 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA2 P00918 1/20 0.35
G6PC1 P35575 1/20 0.35

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
SCHEMBL25418952 0.84 SLC18A3 (0.58) SLC18A3EBPMEN1KMT2AKCNA5
SCHEMBL2197649 0.83 SLC18A3 (0.49) SLC18A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL29615873 0.83 SLC18A3 (0.49) SLC18A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL2936927 0.83 SLC18A3 (0.49) SLC18A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL490929 0.83 SLC18A3 (0.49) SLC18A3MEN1KMT2ASLC6A2SLC6A4
Bromide SCHEMBL19897108 0.82 SLC18A3 (0.47) SLC18A3MEN1KMT2ASLC6A2SLC6A4
Bromide SCHEMBL16799712 0.82 SLC18A3 (0.47) SLC18A3MEN1KMT2ASLC6A2SLC6A4
Bromide SCHEMBL19897327 0.82 SLC18A3 (0.47) SLC18A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL28811067 0.81 SLC18A3 (0.44) SLC18A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL25417757 0.81 SLC18A3 (0.62) SLC18A3EBPMEN1KMT2AKCNA5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713320-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2026-03-25 EP disclosed
WO-2024238820-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2024-11-21 WO disclosed
EP-4430036-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2024-09-18 EP disclosed
WO-2023086539-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2023-05-19 WO disclosed