SCHEMBL614098

SCHEMBL614098

C=C(C)c1cc(CC2CCCN2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
HTR6 P50406 4/20 0.35
HTR2A P28223 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL612242 0.84 ALDH1A1 (0.31)
SCHEMBL2477303 0.77 POLB (0.47) POLBHTR6HTR2A
SCHEMBL10132431 0.77 POLB (0.47) POLBHTR6
SCHEMBL28668453 0.77 POLB (0.51) POLBCHRNB4CHRNA3HTR6HTR2A
SCHEMBL614993 0.76 EED (0.40)
SCHEMBL612609 0.73 L3MBTL1 (0.44) POLBCHRNB2CHRNA4
SCHEMBL19654759 0.73 POLB (0.61) POLBHTR6CHRNB2CHRNA4
SCHEMBL10132336 0.73 POLB (0.61) POLBHTR6CHRNB2CHRNA4
SCHEMBL7136328 0.72 POLB (0.51) POLBCHRNB4CHRNA3HTR6HTR2A
SCHEMBL8220013 0.71 POLB (0.40) POLB

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