SCHEMBL31329162

SCHEMBL31329162

CC(C)CC(c1ccc(Cl)cc1)N1C[C@H](C)NC[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 9/20 0.41
▸ SLC6A2 P23975 7/20 0.41
▸ SLC6A3 Q01959 7/20 0.41
▸ SIGMAR1 Q99720 3/20 0.38
▸ SLC6A9 P48067 3/20 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
Hydrochloric Acid SCHEMBL31611832 0.99 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3SIGMAR1SLC6A9
Hydrochloric Acid SCHEMBL31329028 0.99 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3SIGMAR1SLC6A9
Hydrochloric Acid SCHEMBL31329093 0.86 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3SLC6A9
Hydrochloric Acid SCHEMBL31611771 0.85 SIGMAR1 (0.38) SLC6A4SLC6A2SLC6A3SIGMAR1SLC6A9
Hydrochloric Acid SCHEMBL31611569 0.82 SIGMAR1 (0.37) SIGMAR1
Hydrochloric Acid SCHEMBL31611573 0.82 SIGMAR1 (0.38) SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL14033473 0.80 SLC6A9 (0.46) SLC6A4SLC6A2SLC6A3SIGMAR1SLC6A9
SCHEMBL26946459 0.79 SLC6A9 (0.38) SLC6A4SLC6A2SLC6A3SIGMAR1SLC6A9
Hydrochloric Acid SCHEMBL26925819 0.79 SLC6A9 (0.45) SLC6A4SLC6A2SLC6A3SIGMAR1SLC6A9
Hydrochloric Acid SCHEMBL31329051 0.78 SLC6A9 (0.37) SLC6A4SLC6A2SLC6A3SIGMAR1SLC6A9

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-2025043151-A2 BICYCLIC DGK INHIBITORS INCYTE CORPORATION (US) 2025-02-27 — — WO disclosed
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