SCHEMBL4756508

SCHEMBL4756508

N#CC(CC1C2CN(Cc3ccccc3)CC21)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 6/20 0.57
CCR3 P51677 2/20 0.54
ATM Q13315 1/20 0.45
CHRM3 P20309 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
FUCA1 P04066 2/20 0.43
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 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
SCHEMBL4757577 0.88 KCNA3 (0.60) KCNA3CCR3ATMRAB9ANPSR1
SCHEMBL4757519 0.86 KCNA3 (0.54) KCNA3CCR3ATMCHRM3CHRM2
SCHEMBL4757758 0.85 CCR3 (0.62) KCNA3CCR3ATMRAB9ANPSR1
SCHEMBL19024128 0.77 FUCA1 (0.49) FUCA1
SCHEMBL20875294 0.77 FUCA1 (0.49) FUCA1
SCHEMBL19024129 0.77 FUCA1 (0.49) FUCA1
SCHEMBL19024130 0.77 FUCA1 (0.49) FUCA1
SCHEMBL8880481 0.77 KCNA3 (0.64) KCNA3CCR3CHRM3CHRM2CHRM1
SCHEMBL4757732 0.76 S1PR5 (0.47) CHRM3CHRM2CHRM1FUCA1
SCHEMBL4757731 0.76 KCNA3 (0.45) KCNA3CHRM3CHRM2CHRM1RAB9A

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