SCHEMBL7607809

SCHEMBL7607809

CC1=C2CCC3=C(C)C(c4ccccc43)[Hf](C)(C)C1c1ccccc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.33
PTGS2 P35354 1/20 0.33
HRH1 P35367 1/20 0.33
HTR3A P46098 1/20 0.33
PDE4D Q08499 1/20 0.33
GPR3 P46089 1/20 0.31

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
SCHEMBL7599331 0.79 HTR1A (0.34) ADRA2C
SCHEMBL7607516 0.77 HTR2A (0.33) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL796457 0.76 BCHE (0.36)
SCHEMBL7603394 0.73 IDO1 (0.33) GPR3
SCHEMBL7599593 0.73 GPR3 (0.31) GPR3
SCHEMBL7602766 0.70 ADRA2C (0.33) ADRA2CPTGS2HRH1HTR3APDE4D
Hydrochloric Acid SCHEMBL5616595 0.70 ADRA2C (0.33) ADRA2CPTGS2HRH1HTR3APDE4D
Hydrochloric Acid SCHEMBL218728 0.70 ADRA2C (0.36) ADRA2CPTGS2HRH1HTR3APDE4D
Hydrochloric Acid SCHEMBL218502 0.70 ADRA2C (0.33) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL4444119 0.69 ADRA2C (0.32) ADRA2CPTGS2HRH1HTR3APDE4D

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed