SCHEMBL6629100

SCHEMBL6629100

CNc1c(Br)cc(Br)cc1CNC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ CYP2D6 P10635 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ KCNH2 Q12809 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ GBA1 P04062 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ TBXA2R P21731 1/20 0.48
▸ HRH2 P25021 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ PABPC1 P11940 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HTT P42858 2/20 0.46

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 SCHEMBL11286678 0.99 KDM4E (0.50) KDM4EALDH1A1CYP2D6CYP1A2SLC6A4
Hydrochloric Acid SCHEMBL28918885 0.79 NPBWR1 (0.55) KDM4EALDH1A1LMNAPABPC1MEN1
SCHEMBL24446594 0.79 CYP2D6 (0.74) KDM4EALDH1A1CYP2D6CYP1A2SLC6A4
SCHEMBL30080216 0.79 CYP2D6 (0.74) KDM4EALDH1A1CYP2D6CYP1A2SLC6A4
SCHEMBL11846315 0.79 PABPC1 (0.58) KDM4EALDH1A1CYP2D6CYP1A2SLC6A4
SCHEMBL2342350 0.79 CYP2D6 (0.74) KDM4EALDH1A1CYP2D6CYP1A2SLC6A4
Hydrochloric Acid SCHEMBL15288851 0.79 HTT (0.49) KDM4EALDH1A1CYP2D6CYP1A2SLC6A4
Hydrochloric Acid SCHEMBL10426211 0.78 PABPC1 (0.57) KDM4EALDH1A1CYP2D6CYP1A2SLC6A4
Hydrochloric Acid SCHEMBL158567 0.78 CYP3A4 (0.74) KDM4EALDH1A1CYP2D6CYP1A2SLC6A4
Hydrochloric Acid SCHEMBL29729337 0.78 CYP3A4 (0.74) KDM4EALDH1A1CYP2D6CYP1A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138020-B1 ANTI-ADHESIVE PROPHYLACTICA AND MEDICINES CONTAINING A SECRETOLYTICALLY ACTIVE BENZYLAMINE DERIVATIVE Dr. Karl Thomae GmbH (DE) 1992-06-03 — — EP claimed
US-20040259955-A1 New pharmaceutical compositions containing ambroxol and isopropamide iodide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-23 — — US disclosed
WO-2004041263-A1 NEW PHARMACEUTICAL COMPOSITIONS CONTAINING AMBROXOL AND ISOPROPAMIDE IODIDE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-05-21 — — WO disclosed
EP-1417961-A1 New pharmaceutical compositions containing a combination of ambroxol or bromhexine and isopropamide iodide Boehringer Ingelheim International GmbH (DE) 2004-05-12 — — EP disclosed
EP-0061157-A1 2-Benzoylamino substituted benzylamine derivative and a process for preparation thereof Hokuriku Pharmaceutical Co.,Ltd (JP) 1982-09-29 — — EP disclosed
Send feedback