SCHEMBL4757528

SCHEMBL4757528

NCC(CC1C2CCC1CN(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
FUCA1 P04066 2/20 0.41
HRH3 Q9Y5N1 1/20 0.39
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
BACE1 P56817 1/20 0.39
GRIN2B Q13224 2/20 0.38
OPRM1 P35372 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL4811746 0.80 CYP2D6 (0.36) DRD2DRD3FUCA1HRH3GRIN2B
SCHEMBL4191012 0.79 FUCA1 (0.50) DRD2DRD3FUCA1HRH3ACHE
SCHEMBL4757519 0.78 KCNA3 (0.54) DRD2DRD3
SCHEMBL4757520 0.78 CHRM3 (0.48) FUCA1GRIN2B
SCHEMBL11413096 0.75 FUCA1 (0.60) DRD2DRD3FUCA1ACHEBCHE
SCHEMBL4755473 0.74 GRIN2B (0.40) FUCA1GRIN2B
SCHEMBL16837173 0.74 FUCA1 (0.58) DRD2DRD3FUCA1ACHEBCHE
SCHEMBL4758052 0.74 DRD2 (0.42) DRD2DRD3FUCA1ACHE
SCHEMBL4198217 0.73 FUCA1 (0.54) DRD2DRD3FUCA1ACHEBCHE
SCHEMBL21777260 0.73 FUCA1 (0.53) DRD2DRD3FUCA1HRH3ACHE

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-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO claimed
WO-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO disclosed