SCHEMBL9075423

SCHEMBL9075423

CCOC(=O)N1CCC(=C2c3ccccc3CCc3cccnc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 1.00
SLC6A15 Q9H2J7 10/20 0.78
CHRM2 P08172 2/20 0.78
HTR2A P28223 2/20 0.78
OPRK1 P41145 2/20 0.78
HTR2B P41595 2/20 0.78
KCNH2 Q12809 2/20 0.78
FNTA P49354 2/20 0.78
FNTB P49356 2/20 0.78
MEN1 O00255 1/20 0.78
NPC1 O15118 1/20 0.78
CACNA1F O60840 1/20 0.78
NR1I2 O75469 1/20 0.78
GMNN O75496 1/20 0.78
USP2 O75604 1/20 0.78
ABCB11 O95342 1/20 0.78
LMNA P02545 1/20 0.78
TP53 P04637 1/20 0.78
ABCB1 P08183 1/20 0.78
CYP3A4 P08684 1/20 0.78

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
SCHEMBL30055185 1.00 HRH1 (1.00) HRH1SLC6A15CHRM2HTR2AOPRK1
SCHEMBL5265654 0.89 SLC6A15 (0.82) HRH1SLC6A15CHRM2HTR2AOPRK1
SCHEMBL30056292 0.89 HRH1 (0.80) HRH1SLC6A15CHRM2HTR2AOPRK1
SCHEMBL9073792 0.89 HRH1 (0.80) HRH1SLC6A15CHRM2HTR2AOPRK1
Loratadine SCHEMBL4596 0.88 SLC6A15 (1.00) HRH1SLC6A15CHRM2HTR2AOPRK1
Loratadine SCHEMBL29441811 0.88 SLC6A15 (1.00) HRH1SLC6A15CHRM2HTR2AOPRK1
Loratadine SCHEMBL3862958 0.88 SLC6A15 (1.00) HRH1SLC6A15CHRM2HTR2AOPRK1
Loratadine SCHEMBL29380223 0.88 SLC6A15 (1.00) HRH1SLC6A15CHRM2HTR2AOPRK1
SCHEMBL4941583 0.88 SLC6A15 (0.79) HRH1SLC6A15CHRM2HTR2AOPRK1
SCHEMBL9830156 0.88 SLC6A15 (0.79) HRH1SLC6A15CHRM2HTR2AOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563134-B1 AGENTS FOR POTENTIATING THE EFFECTS OF ANTITUMOR AGENTS AND COMBATING MULTIPLE DRUG RESISTANCE WELLCOME FOUND (GB) 1996-06-19 EP claimed
EP-0042544-B1 NOVEL ANTIHISTAMINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1984-10-03 EP claimed
US-4282233-A NO SEDATIVE EFFECT SCHERING CORPORATION (US) 1981-08-04 US claimed
EP-0563134-B1 AGENTS FOR POTENTIATING THE EFFECTS OF ANTITUMOR AGENTS AND COMBATING MULTIPLE DRUG RESISTANCE WELLCOME FOUND (GB) 1996-06-19 EP disclosed
US-5416091-A Agents for potentiating the effects of antitumor agents and combating multiple drug resistance BURROUGHS WELLCOME CO. (US) 1995-05-16 US disclosed
US-4831042-A Tricyclic-substituted piperidine antihistamines SCHERING CORPORATION (US) 1989-05-16 US disclosed
US-4560688-A NON-SEDATING; CARBAMOYL OR SULFONAMIDE DERIVATIVES SCHERING CORPORATION (US) 1985-12-24 US disclosed
EP-0042544-B1 NOVEL ANTIHISTAMINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1984-10-03 EP disclosed
US-4454143-A Tricyclic antihistamines SCHERING CORPORATION (US) 1984-06-12 US disclosed
US-4355036-A Tricyclic-substituted piperidine antihistamines SCHERING CORPORATION (US) 1982-10-19 US disclosed
EP-0042544-A2 Novel antihistamines, process for their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1981-12-30 EP disclosed
US-4282233-A NO SEDATIVE EFFECT SCHERING CORPORATION (US) 1981-08-04 US disclosed