SCHEMBL20117033

SCHEMBL20117033

CC1=C[C@@H]2CC[C@H](C1)N2C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.47
▸ SLC6A4 P31645 5/20 0.47
▸ SLC6A3 Q01959 5/20 0.47
▸ HTR6 P50406 1/20 0.40
▸ OPRM1 P35372 2/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GLA P06280 1/20 0.32

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
SCHEMBL12723078 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HTR6OPRM1
SCHEMBL20941801 0.88 MAPK1 (0.45) SLC6A2SLC6A4SLC6A3HTR6MAPK1
SCHEMBL24364555 0.77 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR6OPRM1
SCHEMBL25152671 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR6OPRM1
SCHEMBL14818545 0.77 — —
SCHEMBL25492728 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR6OPRM1
SCHEMBL19174820 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR6OPRM1
SCHEMBL19398853 0.74 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR6OPRM1
SCHEMBL19841838 0.74 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR6OPRM1
SCHEMBL13649123 0.74 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR6OPRM1

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
WO-2023081812-A2 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 — — WO disclosed
EP-2964639-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2018-05-02 — — EP disclosed
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