SCHEMBL3503693

SCHEMBL3503693

CNC(=O)Oc1ccc2c(c1)c1c(n2C)C(NCCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 12/20 0.58
▸ MAOA P21397 3/20 0.48
▸ BCHE P06276 6/20 0.42
▸ TAAR1 Q96RJ0 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ PPARG P37231 1/20 0.37

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 SCHEMBL8792259 0.98 ACHE (0.56) ACHEMAOABCHETAAR1NPC1
Hydrochloric Acid SCHEMBL8792264 0.98 ACHE (0.56) ACHEMAOABCHETAAR1NPC1
SCHEMBL3506521 0.91 ACHE (0.48) ACHEMAOATAAR1NPC1GAA
SCHEMBL3508486 0.91 ACHE (0.55) ACHEMAOABCHE
Hydrochloric Acid SCHEMBL8792518 0.90 ACHE (0.47) ACHEMAOATAAR1NPC1GAA
Hydrochloric Acid SCHEMBL8792511 0.90 ACHE (0.47) ACHEMAOATAAR1NPC1GAA
Fumaric Acid SCHEMBL8794233 0.87 ACHE (0.51) ACHEMAOABCHE
Maleic Acid SCHEMBL8794229 0.87 ACHE (0.51) ACHEMAOABCHE
Hydrochloric Acid SCHEMBL9260785 0.85 ACHE (0.47) ACHENPC1RAB9ABRD4CREBBP
SCHEMBL9269605 0.84 BCHE (0.45) ACHEBCHETAAR1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5100891-A Antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-03-31 — — US claimed
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 — — US disclosed
EP-2195029-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES Oryzon Genomics SA (ES) 2010-06-16 — — EP disclosed
WO-2009027349-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS SA (ES) 2009-03-05 — — WO disclosed
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