SCHEMBL6136126

SCHEMBL6136126

O=C(NCCc1cccc(Cc2c(-c3ccc(O)cc3)ccc3cc(O)ccc23)c1)Nc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.47
▸ CNR1 P21554 11/20 0.46
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TOP2A P11388 1/20 0.41
▸ TOP2B Q02880 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ PRMT3 O60678 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ EPHX1 P07099 1/20 0.39

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
SCHEMBL6136136 0.96 TRPV1 (0.50) TRPV1CNR1ROCK2ROCK1NPC1
SCHEMBL6136184 0.95 CNR1 (0.54) TRPV1CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL6136033 0.93 CNR1 (0.49) TRPV1CNR1ROCK2ROCK1NPC1
SCHEMBL6136378 0.83 MTOR (0.48) TRPV1ROCK2ROCK1NPC1RAB9A
SCHEMBL6135927 0.82 ESR1 (0.38) TRPV1ROCK2ROCK1ESR1ESR2
SCHEMBL6136383 0.82 NPY5R (0.43) TRPV1ROCK2ROCK1TOP2ATOP2B
SCHEMBL6136267 0.81 OPRM1 (0.40) TRPV1RAB9ATOP2ATOP2BESR1
SCHEMBL6135968 0.81 TRPV1 (0.41) TRPV1ROCK2ROCK1SMN1; SMN2TOP2A
SCHEMBL6136254 0.80 TRPV1 (0.47) TRPV1ROCK2ROCK1NPC1RAB9A
SCHEMBL6136472 0.79 EPHX1 (0.44) TRPV1CNR1ROCK2SMN1; SMN2TOP2A

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 7 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
WO-1999007377-A1 1-[4-(SUBSTITUTED ALKOXY)BENZYL]NAPHTHALENE COMPOUNDS HAVING ESTROGEN INHIBITORY ACTIVITY ELI LILLY AND COMPANY (US) 1999-02-18 — — WO 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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