SCHEMBL11837937

SCHEMBL11837937

C#CCN1CC2=C(C1)C(C)(C)Oc1cc(C(C)C(C)CCCCC)cc(O)c12

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.42
▸ CNR1 P21554 3/20 0.37
▸ KDR P35968 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
SCHEMBL11354855 0.92 CNR2 (0.43) CNR2CNR1
Hydrochloric Acid SCHEMBL11738168 0.91 CNR2 (0.42) CNR2CNR1
SCHEMBL11843701 0.85 CNR2 (0.53) CNR2CNR1KDR
SCHEMBL11840497 0.84 CNR2 (0.43) CNR2CNR1
SCHEMBL11837940 0.83 CNR2 (0.52) CNR2CNR1
SCHEMBL14456000 0.82 CNR2 (0.45) CNR2
SCHEMBL11712333 0.81 CNR2 (0.55) CNR2CNR1
SCHEMBL11554822 0.80 CNR2 (0.43) CNR2
SCHEMBL11635728 0.80 CNR2 (0.44) CNR2CNR1
SCHEMBL11557352 0.79 CNR2 (0.42) CNR2

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-3994922-A Benzopyrans and intermediates for the preparation of pyrrolo benzopyrans ARTHUR D. LITTLE, INC. (US) 1976-11-30 — — US disclosed
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