SCHEMBL9005014

SCHEMBL9005014

CC1=C(C)C[C@H](CN)[C@@H](CN)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.37
HTR2B P41595 14/20 0.37
HTR2A P28223 12/20 0.37
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAOB P27338 2/20 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
SCHEMBL9005021 1.00 HTR2C (0.37) HTR2CHTR2BHTR2ASLC6A4SLC6A3
SCHEMBL9004801 1.00 HTR2C (0.37) HTR2CHTR2BHTR2ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9004847 0.97 HTR2C (0.40) HTR2CHTR2BHTR2ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9004767 0.97 HTR2C (0.40) HTR2CHTR2BHTR2ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9004763 0.97 HTR2C (0.40) HTR2CHTR2BHTR2ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9004759 0.97 HTR2C (0.40) HTR2CHTR2BHTR2ASLC6A4SLC6A3
SCHEMBL6904650 0.84 HTR2A (0.34) HTR2CHTR2BHTR2A
SCHEMBL6907753 0.81
SCHEMBL6907902 0.76 HTR2A (0.31) HTR2CHTR2BHTR2A
SCHEMBL354692 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583261-A FOR APPLICATION TO PLANTS TO TREAT POWDERY MILDEW BRITISH TECHNOLOGY GROUP LTD. (GB) 1996-12-10 US claimed
US-5464873-A Antigrowth agents BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-07 US claimed
US-5583261-A FOR APPLICATION TO PLANTS TO TREAT POWDERY MILDEW BRITISH TECHNOLOGY GROUP LTD. (GB) 1996-12-10 US disclosed
US-5464873-A Antigrowth agents BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-07 US disclosed