SCHEMBL6136184

SCHEMBL6136184

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 16/20 0.54
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TRPV1 Q8NER1 3/20 0.44

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 0.95 TRPV1 (0.47) CNR1NPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL6136136 0.92 TRPV1 (0.50) CNR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6136033 0.89 CNR1 (0.49) CNR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6136280 0.84 ERCC1 (0.49) CNR1NPC1RAB9AMEN1KMT2A
SCHEMBL6136057 0.83 NPY5R (0.40) CNR1TRPV1
SCHEMBL6136150 0.83 CNR1 (0.39) CNR1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6135989 0.82 GAA (0.40) CNR1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL6136378 0.79 MTOR (0.48) NPC1RAB9ATRPV1
SCHEMBL6136383 0.78 NPY5R (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6135927 0.78 ESR1 (0.38) MAPTTRPV1

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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