SCHEMBL8484202

SCHEMBL8484202

COC(=O)NC1CCc2c(cccc2OCC(=O)O)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
ACHE P22303 2/20 0.62
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
PTGIR P43119 13/20 0.54
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL8488188 0.91 MTNR1A (0.60) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL7778560 0.85 PTGIR (0.62) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL10464119 0.81 MTNR1A (0.74) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL7772433 0.80 PTGIR (0.61) PTGIR
SCHEMBL10357551 0.79 PTGIR (0.48) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL10357583 0.79 TBXA2R (0.58) CA1CA2ACHEPTGIR
SCHEMBL8484206 0.78 PTGIR (0.53) PTGIR
SCHEMBL7772422 0.78 PTGIR (0.60) PTGIRDRD2DRD3
SCHEMBL8858465 0.78 PTGIR (0.64) PTGIR
SCHEMBL10357548 0.78 TBXA2R (0.56) CA1CA2ACHEMTNR1AMTNR1B

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-5863918-A HYPOTENSIVE AGENTS, ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-26 US disclosed
US-5763489-A ANTICOAGULANTS AND HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed