SCHEMBL29879349

SCHEMBL29879349

CNCCc1cc(C2CC2)cn2cc(CNc3ccnc(Br)c3)nc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL24740030 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL24738567 0.92 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL29879413 0.89 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL24739276 0.89 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL29879313 0.89 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL24739278 0.89 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL24738566 0.87 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL24738565 0.87 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL30997793 0.86 KLKB1 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL29302908 0.84 SYK (0.38) SLC6A2SLC6A4SLC6A3

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
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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