SCHEMBL9048622

SCHEMBL9048622

O=C(c1cn(CC2CCCCC2)c2ccccc12)C1CCc2nc[nH]c2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.68
ADRA2A P08913 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
SLC6A4 P31645 1/20 0.68
OPRK1 P41145 1/20 0.68
HTR2B P41595 1/20 0.68
KCNH2 Q12809 1/20 0.68
HTR3E A5X5Y0 1/20 0.68
HTR3B O95264 1/20 0.68
HTR3D Q70Z44 1/20 0.68
HTR3C Q8WXA8 1/20 0.68
CNR1 P21554 8/20 0.55
CNR2 P34972 6/20 0.55
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44

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
Fumaric Acid SCHEMBL9051428 0.95 HTR3A (0.62) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL9048608 0.93 HTR3A (0.58) HTR3AADRA2AADRA2BADRA2CSLC6A4
Fumaric Acid SCHEMBL9051417 0.88 HTR3A (0.53) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL9048718 0.85 HTR3A (0.71) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL9049402 0.85 HTR3A (0.71) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL9049208 0.83 HTR3A (0.74) HTR3AADRA2AADRA2BADRA2CSLC6A4
Fumaric Acid SCHEMBL9048692 0.83 HTR3A (0.65) HTR3AADRA2AADRA2BADRA2CSLC6A4
Ramosetron SCHEMBL1649718 0.81 HTR3A (1.00) HTR3AADRA2AADRA2BADRA2CSLC6A4
Ramosetron SCHEMBL3865249 0.81 HTR3A (1.00) HTR3AADRA2AADRA2BADRA2CSLC6A4
Ramosetron SCHEMBL9048400 0.81 HTR3A (1.00) HTR3AADRA2AADRA2BADRA2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381422-B1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-10-23 EP claimed
US-5344927-A 5-HT3 antagonist YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed