SCHEMBL4757732

SCHEMBL4757732

O=C(O)C(CC1C2CN(Cc3ccccc3)CC21)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 4/20 0.47
S1PR1 P21453 2/20 0.47
FUCA1 P04066 2/20 0.45
CHRM3 P20309 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
GRK5 P34947 1/20 0.43
CDK8 P49336 1/20 0.43
GRIN2B Q13224 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4756802 0.89 CHRM3 (0.47) S1PR5S1PR1FUCA1CHRM3CHRM2
SCHEMBL4757574 0.85 CHRM3 (0.44) S1PR5S1PR1CHRM3CHRM2CHRM1
SCHEMBL4617489 0.85 CHRM3 (0.41) S1PR5S1PR1FUCA1CHRM3CHRM2
SCHEMBL4757520 0.76 CHRM3 (0.48) S1PR5S1PR1FUCA1CHRM3CHRM2
SCHEMBL19023808 0.76 S1PR5 (0.54) S1PR5S1PR1FUCA1GRIN2B
SCHEMBL20875290 0.76 S1PR5 (0.54) S1PR5S1PR1FUCA1GRIN2B
SCHEMBL19023811 0.76 S1PR5 (0.54) S1PR5S1PR1FUCA1GRIN2B
SCHEMBL19023812 0.76 S1PR5 (0.54) S1PR5S1PR1FUCA1GRIN2B
SCHEMBL4756508 0.76 KCNA3 (0.57) FUCA1CHRM3CHRM2CHRM1
SCHEMBL5105573 0.74 CHRM3 (0.46) S1PR5S1PR1FUCA1CHRM3CHRM2

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