SCHEMBL6136136

SCHEMBL6136136

O=C(NCCc1cccc(Cc2c(-c3ccc(O)cc3)ccc3cc(O)ccc23)c1)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.50
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ CNR1 P21554 6/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TOP2A P11388 1/20 0.41
▸ TOP2B Q02880 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ PRMT3 O60678 1/20 0.40

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
SCHEMBL6136126 0.96 TRPV1 (0.47) TRPV1NPC1RAB9AROCK2ROCK1
SCHEMBL6136184 0.92 CNR1 (0.54) TRPV1NPC1RAB9AMEN1MAPT
SCHEMBL6136033 0.89 CNR1 (0.49) TRPV1NPC1RAB9AMEN1MAPT
SCHEMBL6136254 0.84 TRPV1 (0.47) TRPV1NPC1RAB9AMEN1MAPT
SCHEMBL6136472 0.83 EPHX1 (0.44) TRPV1MEN1MAPTKMT2AROCK2
SCHEMBL6136267 0.83 OPRM1 (0.40) TRPV1RAB9AMEN1MAPTKMT2A
SCHEMBL6136266 0.83 MTOR (0.44) TRPV1ROCK2ROCK1TOP2ATOP2B
SCHEMBL6135927 0.80 ESR1 (0.38) TRPV1MAPTROCK2ROCK1
SCHEMBL6136378 0.79 MTOR (0.48) TRPV1NPC1RAB9AROCK2ROCK1
SCHEMBL6136383 0.79 NPY5R (0.43) TRPV1ROCK2ROCK1TOP2ATOP2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895989-B1 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity LILLY CO ELI (US) 2005-05-18 — — EP claimed
US-6509356-B1 Estrogen inhibitory activity method for the treatment of breast cancer in a woman comprising administering to a patient a therapeutically effective amount of a compound ELI LILLY AND COMPANY 2003-01-21 — — US claimed
EP-0895989-A1 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity ELI LILLY AND COMPANY (US) 1999-02-10 — — EP claimed
EP-0895989-B1 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity LILLY CO ELI (US) 2005-05-18 — — EP disclosed
US-6509356-B1 Estrogen inhibitory activity method for the treatment of breast cancer in a woman comprising administering to a patient a therapeutically effective amount of a compound ELI LILLY AND COMPANY 2003-01-21 — — US disclosed
EP-0895989-A1 1-[4-(Substituted alkoxy)benzyl] naphthalene compounds having estrogen inhibitory activity ELI LILLY AND COMPANY (US) 1999-02-10 — — EP disclosed
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