SCHEMBL614277

SCHEMBL614277

C=C(C)c1ccc(CCC2CCCN2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.44
DRD1 P21728 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
NOS1 P29475 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNA5 P30532 1/20 0.41

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
SCHEMBL5598381 0.84 SLC18A2 (0.43) SLC18A2KCNH2CHRNB2CHRNA7CHRNA4
SCHEMBL613920 0.83 SLC18A2 (0.39) SLC18A2KCNH2
SCHEMBL21000877 0.79 SLC18A2 (0.49) SLC18A2KCNH2
SCHEMBL3781995 0.79 CHRNB2 (0.51) SLC18A2HTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL2691261 0.79 SLC18A2 (0.70) SLC18A2
SCHEMBL614409 0.78 SLC18A2 (0.45) SLC18A2KCNH2
SCHEMBL611255 0.78 MAOB (0.42)
SCHEMBL27118538 0.77 HTR2A (0.42) DRD1HRH2HTR2AHTR2COPRK1
SCHEMBL608921 0.77 MAOB (0.46)
SCHEMBL609588 0.75 MAOB (0.42)

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
US-8367765-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-05 US disclosed
US-20120041135-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed