SCHEMBL8717874

SCHEMBL8717874

O=[C]N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
AKR1C3 P42330 5/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CHIA Q9BZP6 1/20 0.50
DRD4 P21917 1/20 0.49
GPR84 Q9NQS5 1/20 0.47
GFER P55789 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL870704 0.84 HTR3E (0.70) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL29998630 0.84 HTR3E (0.70) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL8984715 0.82 ADRB1 (0.52) ADRB1AKR1C3LMNAALDH1A1SMN1; SMN2
SCHEMBL298843 0.82 MAPT (0.57) AKR1C3LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL3076371 0.81 DRD4 (0.52) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL2383844 0.78 CHKA (0.57) AKR1C3ALDH1A1SMN1; SMN2MAPT
SCHEMBL3239961 0.77 HSD11B1 (0.52) LMNAALDH1A1SMN1; SMN2HTTDRD4
SCHEMBL5535690 0.77 CA12 (0.55) AKR1C3SMN1; SMN2DRD4MAPT
SCHEMBL3667964 0.77 L3MBTL1 (0.57) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL4507713 0.76 SIRT6 (0.65) ADRB1AKR1C3LMNAALDH1A1SMN1; SMN2

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
US-5776936-A Marcfortine/paraherquamide derivatives useful as antiparasitic agents PHARMACIA & UPJOHN COMPANY (US) 1998-07-07 US claimed
US-5776936-A Marcfortine/paraherquamide derivatives useful as antiparasitic agents PHARMACIA & UPJOHN COMPANY (US) 1998-07-07 US disclosed