SCHEMBL4756799

SCHEMBL4756799

CCC(C#N)(CC1C2CN(CCC=C(C)C)CC21)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.38
CHRM2 P08172 8/20 0.38
CHRM1 P11229 8/20 0.38
CCR1 P32246 1/20 0.38
KCNA3 P22001 3/20 0.35
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL4757731 0.86 KCNA3 (0.45) CHRM3CHRM2CHRM1KCNA3RAB9A
SCHEMBL4789918 0.80 CHRM3 (0.36) CHRM3CHRM2CHRM1CCR1
SCHEMBL4757575 0.76 CHRM3 (0.48) CHRM3CHRM2CHRM1
SCHEMBL4789739 0.76 CHRM3 (0.36) CHRM3CHRM2CHRM1CCR1
SCHEMBL4789432 0.73 ADRA1D (0.42)
SCHEMBL4788465 0.73 CHRM3 (0.32) CHRM3
SCHEMBL4617789 0.70 CHRM2 (0.48) CHRM3CHRM2CHRM1CCR1
SCHEMBL4619558 0.69 CHRM2 (0.43) CHRM3CHRM2CHRM1
SCHEMBL4758052 0.68 DRD2 (0.42) CHRM3CHRM2CHRM1CCR1KCNA3
SCHEMBL13271382 0.66 CYP2D6 (0.44) CHRM3CHRM2CHRM1CCR1RAB9A

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