SCHEMBL10794613

SCHEMBL10794613

CCCN(CCC)CCCOc1ccc(C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 6/20 0.56
▸ ACHE P22303 5/20 0.56
▸ LSS P48449 2/20 0.56
▸ THRA P10827 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HRH2 P25021 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ SLC2A1 P11166 1/20 0.51
▸ LTA4H P09960 1/20 0.49

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
SCHEMBL9360200 0.82 BCHE (0.69) BCHEACHELSSTHRATHRB
SCHEMBL11718751 0.82 BCHE (0.52) BCHEACHETHRATHRBSLC2A1
Hydrochloric Acid SCHEMBL11672602 0.80 BCHE (0.58) BCHEACHETHRATHRBSLC2A1
SCHEMBL5727095 0.80 KDM4E (0.64) BCHEACHELSSKDM4ESMN1; SMN2
SCHEMBL7431876 0.79 LSS (0.53) LSSTHRBKDM4ESMN1; SMN2HRH2
SCHEMBL9365154 0.79 KDM4E (0.76) BCHEACHELSSTHRATHRB
SCHEMBL10797121 0.78 FDPS (0.47) BCHEACHEKDM4ESMN1; SMN2LTA4H
SCHEMBL8769969 0.78 TP53 (0.68) SMN1; SMN2
SCHEMBL11715650 0.78 BCHE (0.53) BCHEACHETHRATHRBSLC2A1
SCHEMBL9361193 0.78 LSS (0.59) LSSKDM4ESMN1; SMN2HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4645779-A TREATMENT OF ACUTE ETHANOLIC INTOXICATION RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-02-24 — — US disclosed
EP-0114410-B1 SUBSTITUTED ALPHA-(ETHYL)-ALPHA-(PHENYL)-(OMEGA-(DIALKYLAMINO)-ALKOXY)-BENZYL ALCOHOLS, THEIR ACID ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR THEIR PREPARATION, AS WELL AS MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-05-14 — — EP disclosed
EP-0114410-A1 Substituted alpha-(ethyl)-alpha-(phenyl)-(omega-(dialkylamino)-alkoxy)-benzyl alcohols, their acid addition salts and quaternary salts, process for their preparation, as well as medicines containing these compounds RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1984-08-01 — — EP disclosed
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