SCHEMBL7424665

SCHEMBL7424665

CCCCN1CC[C@@H](c2ccc(N(C)C)cc2)[C@H](COc2ccc(Cl)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 2/20 0.43
HRH3 Q9Y5N1 5/20 0.42

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
SCHEMBL7424654 1.00 SLC6A3 (0.45) SLC6A3SIGMAR1HRH3
SCHEMBL7422049 1.00 SLC6A3 (0.45) SLC6A3SIGMAR1HRH3
SCHEMBL8717975 0.91 SLC18A2 (0.39) SIGMAR1HRH3
SCHEMBL7414244 0.91 SLC18A2 (0.39) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL8720630 0.90 SLC18A2 (0.38) SIGMAR1HRH3
SCHEMBL7419970 0.90 L3MBTL1 (0.45)
SCHEMBL8722858 0.89 KDM4E (0.42) SLC6A3SIGMAR1HRH3
SCHEMBL8722860 0.89 KDM4E (0.42) SLC6A3SIGMAR1HRH3
SCHEMBL8718276 0.89 KDM4E (0.42) SLC6A3SIGMAR1HRH3
SCHEMBL8718292 0.89 HRH3 (0.49) SIGMAR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558487-B1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1998-10-07 EP claimed
EP-0558487-A1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-09-08 EP claimed
WO-1992001672-A1 PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-02-06 WO claimed