SCHEMBL13450331

SCHEMBL13450331

CC1CCN(c2nc3ccccc3[nH]2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 1.00
BCHE P06276 2/20 0.67
ACHE P22303 2/20 0.67
HTR3A P46098 1/20 0.65
TP53 P04637 3/20 0.63
MAPT P10636 4/20 0.57
RAB9A P51151 1/20 0.57
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.52

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
SCHEMBL22481379 0.86 TRPC3 (0.75) TRPC3BCHEACHEHTR3ATP53
SCHEMBL7848240 0.84 TRPC3 (0.73) TRPC3BCHEACHEHTR3ATP53
SCHEMBL2676103 0.82 BCHE (0.96) TRPC3BCHEACHEHTR3ATP53
SCHEMBL2674037 0.82 BCHE (0.90) TRPC3BCHEACHEHTR3ATP53
SCHEMBL14587776 0.81 TRPC3 (0.68) TRPC3BCHEACHEHTR3ATP53
SCHEMBL5309716 0.81 BCHE (0.71) TRPC3BCHEACHEHTR3ATP53
SCHEMBL4713162 0.81 TRPC3 (0.68) TRPC3BCHEACHEHTR3ATP53
SCHEMBL9369695 0.81 TRPC3 (0.68) TRPC3BCHEACHEHTR3ATP53
SCHEMBL2241920 0.80 BCHE (1.00) TRPC3BCHEACHEHTR3ATP53
SCHEMBL717865 0.80 BCHE (1.00) TRPC3BCHEACHEHTR3ATP53

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
EP-1773796-B1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-03-03 EP disclosed