SCHEMBL8530808

SCHEMBL8530808

CN1CCCC1CCn1ccc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.77
ADRA2A P08913 2/20 0.55
CDK4 P11802 3/20 0.53
CCND1 P24385 3/20 0.53
NOS3 P29474 10/20 0.53
NOS1 P29475 10/20 0.53
NOS2 P35228 7/20 0.52

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
SCHEMBL7199489 0.87 HTR6 (1.00) HTR6ADRA2ACDK4CCND1
SCHEMBL6897355 0.87 HTR6 (1.00) HTR6ADRA2ACDK4CCND1
SCHEMBL2911126 0.83 HTR6 (0.92) HTR6ADRA2ACDK4CCND1
SCHEMBL30641113 0.83 HTR6 (0.92) HTR6ADRA2ACDK4CCND1
SCHEMBL12367568 0.81 NOS3 (0.56) HTR6ADRA2ANOS3NOS1NOS2
SCHEMBL1122077 0.81 NOS3 (0.57) HTR6ADRA2ANOS3NOS1NOS2
SCHEMBL12367525 0.79 NOS3 (0.52) HTR6ADRA2ANOS3NOS1NOS2
SCHEMBL27747783 0.79 NOS3 (0.52) HTR6ADRA2ANOS3NOS1NOS2
SCHEMBL2266154 0.79 NOS3 (0.56) HTR6ADRA2ANOS3NOS1NOS2
SCHEMBL2263181 0.78 NOS3 (0.51) HTR6NOS3NOS1NOS2

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-5817651-A ANALGESICS, RHEUMATIC DISEASES, ANTIINFLAMMATORY AGENTS SANOFI (FR) 1998-10-06 US disclosed