SCHEMBL3260323

SCHEMBL3260323

CC(=O)OCC1CCC2CCCN21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.35
CHRNA7 P36544 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNA5 P30532 2/20 0.35
POLB P06746 1/20 0.33
PDK1 Q15118 1/20 0.33
SIGMAR1 Q99720 7/20 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
SCHEMBL2267050 1.00 CHRNB2 (0.35) CHRNB2CHRNA7CHRNA4CHRNA5POLB
SCHEMBL2267046 1.00 CHRNB2 (0.35) CHRNB2CHRNA7CHRNA4CHRNA5POLB
SCHEMBL30707697 0.83 CHRM3 (0.35) CHRNB2CHRNA7CHRNA4CHRNA5SIGMAR1
SCHEMBL3379114 0.81 NLRP3 (0.35) CHRNB2CHRNA7CHRNA4CHRNA5POLB
SCHEMBL25957050 0.77 HDAC8 (0.32) SIGMAR1
SCHEMBL24578244 0.74 CHRNB2 (0.59) CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL20869642 0.74 CHRNB2 (0.59) CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL26786826 0.72 ALDH1A1 (0.34)
SCHEMBL27797919 0.72 FFAR1 (0.37) POLB
SCHEMBL25803032 0.72 CHRNB2 (0.32) CHRNB2CHRNA7CHRNA4SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049678-A2 TREATMENT OF ENERGY UTILIZATION DISEASES SUMMIT CORPORATION PLC (GB) 2010-05-06 WO disclosed
WO-2010029313-A1 ANTIINFECTIVE COMPOUNDS SUMMIT CORPORATION PLC. (GB) 2010-03-18 WO disclosed
WO-2010015815-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2010-02-11 WO disclosed