SCHEMBL8631647

SCHEMBL8631647

BrCC1CCCN(Cc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ BCHE P06276 4/20 0.54
▸ ACHE P22303 2/20 0.54
▸ MAOB P27338 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CCR3 P51677 1/20 0.50

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
SCHEMBL9740116 0.95 CYP2D6 (0.56) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL10684393 0.85 BCHE (0.70) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8238364 0.85 BCHE (0.70) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL11194018 0.85 CYP2D6 (0.64) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL12424602 0.84 CYP2D6 (0.62) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL992110 0.84 CYP2D6 (0.62) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL7071972 0.84 CYP2D6 (0.83) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL21393195 0.84 CYP2D6 (0.62) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1944588 0.84 CYP2D6 (0.83) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL13182778 0.84 CYP2D6 (0.62) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19

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
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 — — US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 — — US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 — — EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 — — WO disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 — — US disclosed
EP-0224794-B1 CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1990-09-12 — — EP disclosed
EP-0224794-A2 Cyclic amine derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-06-10 — — EP disclosed
Send feedback