SCHEMBL11015572

SCHEMBL11015572

CCc1ccccc1N1CCC(N(C(=O)C2CC2)n2cccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ CYP46A1 Q9Y6A2 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36

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
Hydrochloric Acid SCHEMBL10652939 0.99 OPRM1 (0.42) OPRM1MEN1KMT2ACASP1CASP7
SCHEMBL11087626 0.95 OPRM1 (0.42) OPRM1MEN1KMT2ACASP1CASP7
Hydrochloric Acid SCHEMBL10656064 0.94 OPRM1 (0.42) OPRM1MEN1KMT2ACASP1CASP7
SCHEMBL10653491 0.89 OPRM1 (0.42) OPRM1MEN1KMT2ACASP1CASP7
Hydrochloric Acid SCHEMBL10655291 0.88 OPRM1 (0.41) OPRM1MEN1KMT2ACASP1CASP7
SCHEMBL11015645 0.88 OPRM1 (0.41) OPRM1MEN1KMT2ACASP1CASP7
SCHEMBL10656089 0.88 CASP1 (0.40) OPRM1MEN1KMT2ACASP1CASP7
Hydrochloric Acid SCHEMBL10656009 0.86 OPRM1 (0.40) OPRM1MEN1KMT2ACASP1CASP7
SCHEMBL10653473 0.86 OPRM1 (0.36) OPRM1MEN1KMT2ACASP1CASP7
SCHEMBL10652472 0.85 KMT2A (0.37) OPRM1MEN1KMT2ACASP1CASP7

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-4546105-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-10-08 — — US claimed
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