SCHEMBL4758052

SCHEMBL4758052

CCC(C#N)(CC1C2CCC1CN(Cc1ccccc1)C2)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
DRD3 P35462 6/20 0.42
KCNA3 P22001 1/20 0.41
CCR3 P51677 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CCR1 P32246 1/20 0.38
FUCA1 P04066 2/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL4757519 0.84 KCNA3 (0.54) DRD2DRD3KCNA3CCR3CHRM2
SCHEMBL4756790 0.79 CHRM3 (0.39) DRD2DRD3KCNA3CHRM2CHRM1
SCHEMBL4757548 0.78 CHRM3 (0.46) CHRM2CHRM1CHRM3CCR1
SCHEMBL4789529 0.77 ADRA1A (0.41) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL4757759 0.77 CCR1 (0.43) DRD2DRD3KCNA3CCR3CHRM2
SCHEMBL4755473 0.74 GRIN2B (0.40) FUCA1
SCHEMBL4757528 0.74 DRD2 (0.42) DRD2DRD3FUCA1ACHE
SCHEMBL11413096 0.71 FUCA1 (0.60) DRD2DRD3CCR3FUCA1ACHE
SCHEMBL4757520 0.71 CHRM3 (0.48) CHRM2CHRM3FUCA1
SCHEMBL25333858 0.70 DRD2 (0.50) DRD2DRD3FUCA1ACHE

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