SCHEMBL9250144

SCHEMBL9250144

NCCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 1/20 0.51
MAPT P10636 3/20 0.48
HIF1A Q16665 3/20 0.48
DGKA P23743 2/20 0.48
DGKG P49619 1/20 0.48
TP53 P04637 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 2/20 0.45
NFKB1 P19838 2/20 0.45
MEN1 O00255 2/20 0.45
GMNN O75496 2/20 0.45
LMNA P02545 2/20 0.45
BLM P54132 2/20 0.45
PMP22 Q01453 2/20 0.45

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
SCHEMBL9253356 0.91 HIF1A (0.46) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL9379143 0.85 MAPT (0.49) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL9632595 0.84 MAPT (0.48) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL9246640 0.83 SETD7 (0.61) DRD2DRD4HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL9632502 0.83 MAPT (0.47) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL22558411 0.80 MAPT (0.46) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL10566280 0.80 CARM1 (0.48) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL19436970 0.80 DRD2 (0.47) DRD2DRD4HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL9630458 0.78 PSMB1 (0.46) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL24604543 0.77 MAPT (0.43) DRD2DRD4HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed
US-4835157-A Thieno- and furopyrimidine-2,4-dione piperidine derivatives as serotonin antagonists and alpha adrenergic blocking agents ORTHO PHARMACEUTICAL CORPORATION (US) 1989-05-30 US disclosed