SCHEMBL6945067

SCHEMBL6945067

CCC(O)(CC)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH1 P35367 1/20 0.39
SCN1A P35498 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
GNAO1 P09471 6/20 0.32
GNAI3 P08754 5/20 0.32
GNAI1 P63096 5/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
KCNH2 Q12809 1/20 0.31
GABRA1 P14867 2/20 0.31
TSHR P16473 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31

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
SCHEMBL6160580 0.84 MEN1 (0.38) LMNAMEN1CYP2D6HRH1SCN1A
SCHEMBL9786877 0.79 GNAO1 (0.43) LMNAMEN1CYP2D6HRH1SCN1A
SCHEMBL27791634 0.77
SCHEMBL14463009 0.77 CYP1A2 (0.33) CYP2D6KCNH2
SCHEMBL22041041 0.76 LMNA (0.39) LMNAMEN1CYP2D6HRH1SCN1A
SCHEMBL10234483 0.75 CYP1A2 (0.37) LMNAMEN1CYP2D6KMT2AKCNH2
SCHEMBL13501880 0.74 SLC6A1 (0.35) LMNACYP2D6KMT2AKCNH2TSHR
SCHEMBL14968904 0.74 MEN1 (0.35) LMNAMEN1CYP2D6HRH1SCN1A
SCHEMBL13930811 0.73 MEN1 (0.32) LMNAMEN1CYP2D6HRH1SCN1A
SCHEMBL14212686 0.73 KDM4E (0.39) LMNAMEN1CYP2D6HRH1SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 EP claimed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 EP claimed
EP-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 EP disclosed
US-5739149-A TREATING ASTHMA ZENECA LIMITED (GB) 1998-04-14 US disclosed
EP-0625509-B1 N-alkyl substituted piperidine-derivatives with neurokinin receptor antagonist activity ZENECA LTD (GB) 1997-07-30 EP disclosed
US-5635509-A ASTHMA; BRONCHODILATOR AGENTS; VASODILATION MICROVASCULAR PERMEABILITY; MAST CELLS ZENECA LIMITED (GB) 1997-06-03 US disclosed
US-5521199-A TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 EP disclosed
EP-0625509-A1 N-alkyl substituted piperidine-derivatives with neurokinin receptor antagonist activity ZENECA LIMITED (GB) 1994-11-23 EP disclosed