SCHEMBL11275178

SCHEMBL11275178

CCN(c1ccccc1)C1CC2(CCCC2)Oc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.40
CYP2D6 P10635 3/20 0.40
KCNH2 Q12809 3/20 0.40
KMT2A Q03164 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TRPV1 Q8NER1 8/20 0.35
LMNA P02545 1/20 0.34
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
IDO1 P14902 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
SCHEMBL11252786 0.91 OPRD1 (0.40) OPRD1CYP2D6KCNH2KMT2ATRPV1
SCHEMBL11472896 0.86 OPRD1 (0.38) OPRD1CYP2D6KCNH2KMT2ATRPV1
SCHEMBL11472809 0.85 OPRD1 (0.38) OPRD1CYP2D6KCNH2KMT2ATRPV1
SCHEMBL11282490 0.84 OPRD1 (0.42) OPRD1CYP2D6KCNH2KMT2ATRPV1
SCHEMBL11286697 0.81 C5AR1 (0.40) OPRD1CYP2D6KCNH2
SCHEMBL11275302 0.80 C5AR1 (0.40) OPRD1CYP2D6KCNH2
SCHEMBL11258266 0.79 OPRD1 (0.43) OPRD1CYP2D6KCNH2KMT2ATRPV1
SCHEMBL11251548 0.79 OPRD1 (0.39) OPRD1CYP2D6KCNH2KMT2ATRPV1
SCHEMBL11254003 0.78 OPRD1 (0.43) OPRD1CYP2D6KCNH2KMT2ATRPV1
SCHEMBL11254515 0.77 OPRD1 (0.38) OPRD1CYP2D6KCNH2KMT2ATRPV1

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
EP-0001428-B1 INSECTICIDAL AND ACARICIDAL AGENTS CONTAINING CHROMAN DERIVATIVES, THEIR PREPARATION AND THEIR USE, AS WELL AS CHROMAN DERIVATIVES AND THEIR PREPARATION BAYER AG (DE) 1982-03-24 EP disclosed
US-4195183-A ω-Nor-aromatic-13,14-dehydro-prostaglandins and process for their preparation Farmitalia Certo Erba S.p.A. (IT) 1980-03-25 US disclosed