SCHEMBL614331

SCHEMBL614331

C=C(C)c1cc(C2CCNC2)ccc1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.45
PDE4B Q07343 1/20 0.43
QDPR P09417 1/20 0.41
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR1E P28566 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40
HTR2C P28335 2/20 0.40
JAK3 P52333 1/20 0.39

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
SCHEMBL8640763 0.79 HTR3A (0.55) HTR3APDE4BQDPRCYP2D6SLC6A2
SCHEMBL612609 0.77 L3MBTL1 (0.44) CYP2D6
SCHEMBL614301 0.76
SCHEMBL13698222 0.75 HTR3A (0.50) HTR3APDE4BCYP2D6SLC6A2SLC6A4
SCHEMBL614993 0.73 EED (0.40) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL13646142 0.73 ACMSD (0.50) QDPRHTR2C
SCHEMBL18617806 0.73 HTR3A (0.47) HTR3APDE4BCYP2D6SLC6A2SLC6A4
SCHEMBL23372240 0.72 KHK (0.45) HTR3AJAK3
SCHEMBL13698229 0.72 HTR3A (0.54) HTR3APDE4BCYP2D6SLC6A2SLC6A4
SCHEMBL826383 0.72 SLC6A2 (0.63) HTR3APDE4BCYP2D6SLC6A2SLC6A4

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