SCHEMBL9006740

SCHEMBL9006740

CCC1CCCc2ccc(NC3=NCCO3)cc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.46
ADRA2B P18089 8/20 0.46
ADRA2C P18825 8/20 0.46
ADRA1A P35348 4/20 0.46
CFB P00751 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 1/20 0.33
ACHE P22303 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL2798318 0.76 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL7046475 0.75 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL7048861 0.74 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL8993312 0.69 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL24593623 0.67 KDM4C (0.46) MTNR1AMTNR1B
SCHEMBL9558789 0.65 CFB (0.48) ADRA2AADRA2BADRA2CADRA1ACFB
Hydrochloric Acid SCHEMBL6076996 0.65 KDM4C (0.45) MTNR1AMTNR1B
SCHEMBL23788244 0.65 MTNR1A (0.57) ADRA2AADRA2BMTNR1AMTNR1B
SCHEMBL7048125 0.64 TAAR1 (0.46) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL29920861 0.64 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5580892-A ANTIDIARRHETIC, ANTISPASTIC, ANTIEPILEPTIC AGENTS; DIURETICS ALLERGAN 1996-12-03 US disclosed