SCHEMBL6820428

SCHEMBL6820428

CN(CCCl)C(CCl)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.42
HRH1 P35367 5/20 0.42
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 3/20 0.38
CHRM2 P08172 3/20 0.38
SLC6A2 P23975 3/20 0.38
SCN1A P35498 3/20 0.38
SCN2A Q99250 3/20 0.38
SCN3A Q9NY46 3/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
ADRA2B P18089 2/20 0.38
CHRM3 P20309 2/20 0.38
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
ADRA1A P35348 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
HTR2B P41595 2/20 0.38
SLC6A3 Q01959 2/20 0.38

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 SCHEMBL28181773 0.98 TDP1 (0.42) HTR2AHRH1TDP1LMNACHRM2
SCHEMBL9513844 0.80 HTR2A (0.45) HTR2AHRH1TDP1LMNACHRM2
SCHEMBL7509241 0.76 SLC22A2 (0.38) OPRM1OPRK1KDM4ESLC22A2SLC22A3
SCHEMBL18324641 0.71 HTR2A (0.44) HTR2AHRH1TDP1LMNACHRM2
SCHEMBL11393827 0.69 KDM4E (0.46) HTR2AHRH1TDP1KDM4EAOC3
SCHEMBL4269275 0.68 HTR2A (0.45) HTR2AHRH1TDP1LMNACHRM2
SCHEMBL2252400 0.68 HTR2A (0.44) HTR2AHRH1TDP1LMNACHRM2
SCHEMBL5498181 0.68 SIGMAR1 (0.51) HTR2AHRH1TDP1LMNACHRM2
Hydrochloric Acid SCHEMBL5497858 0.67 SIGMAR1 (0.50) HTR2AHRH1TDP1LMNACHRM2
Hydrochloric Acid SCHEMBL27764173 0.67 TDP1 (0.46) HTR2AHRH1TDP1LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178805-A4 NOVEL SYNTHESIS AND CRYSTALLIZATION OF PIPERAZINE RING-CONTAINING COMPOUNDS TEVA PHARMA (IL) 2004-11-24 EP disclosed
EP-1178805-A1 NOVEL SYNTHESIS AND CRYSTALLIZATION OF PIPERAZINE RING-CONTAINING COMPOUNDS Teva Pharmaceutical Industries Limited (IL) 2002-02-13 EP disclosed
WO-2000062782-A1 NOVEL SYNTHESIS AND CRYSTALLIZATION OF PIPERAZINE RING-CONTAINING COMPOUNDS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2000-10-26 WO disclosed
US-4254031-A Synthesis for the preparation of tetracyclic compounds AKZONA INCORPORATED (US) 1981-03-03 US disclosed
US-4217452-A Synthesis for the preparation of tetracyclic compounds AKZONA INCORPORATED (US) 1980-08-12 US disclosed
US-4025513-A Synthesis for the preparation of tetracyclic compounds AKZONA INCORPORATED (US) 1977-05-24 US disclosed