SCHEMBL9075845

SCHEMBL9075845

OC(CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.60
LMNA P02545 3/20 0.58
HRH1 P35367 3/20 0.58
DRD3 P35462 3/20 0.58
BLM P54132 3/20 0.58
HTT P42858 2/20 0.58
HTR2A P28223 2/20 0.58
HTR2B P41595 2/20 0.58
DRD2 P14416 2/20 0.58
GMNN O75496 2/20 0.58
CYP3A4 P08684 2/20 0.58
THPO P40225 2/20 0.58
MTOR P42345 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 1/20 0.58
CACNA1F O60840 1/20 0.58
USP2 O75604 1/20 0.58
EGFR P00533 1/20 0.58

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
SCHEMBL9076140 0.91 KCNH2 (0.62) KCNH2LMNAHRH1DRD3BLM
SCHEMBL9076363 0.88 KCNH2 (0.70) KCNH2LMNAHRH1DRD3BLM
SCHEMBL9076057 0.87 KCNH2 (0.79) KCNH2LMNAHRH1DRD3BLM
SCHEMBL18590354 0.86 KCNH2 (0.77) KCNH2LMNAHRH1DRD3BLM
SCHEMBL17023760 0.86 KCNH2 (0.77) KCNH2LMNAHRH1DRD3BLM
SCHEMBL11869223 0.86 KCNH2 (0.74) KCNH2LMNAHRH1DRD3BLM
SCHEMBL2615108 0.81 KCNH2 (0.90) KCNH2LMNAHRH1DRD3BLM
SCHEMBL11860646 0.81 KCNH2 (0.74) KCNH2LMNAHRH1DRD3BLM
SCHEMBL9500310 0.79 HTR2A (0.64) BLMHTTHTR2AGMNNCYP3A4
SCHEMBL13285122 0.78 LMNA (0.91) KCNH2LMNAHRH1DRD3BLM

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 4 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 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
EP-0563134-A1 AGENTS FOR POTENTIATING THE EFFECTS OF ANTITUMOR AGENTS AND COMBATING MULTIPLE DRUG RESISTANCE. WELLCOME FOUND (GB) 1993-10-06 EP disclosed
WO-1992011034-A1 AGENTS FOR POTENTIATING THE EFFECTS OF ANTITUMOR AGENTS AND COMBATING MULTIPLE DRUG RESISTANCE THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-09 WO disclosed