SCHEMBL9406550

SCHEMBL9406550

CNc1c(Cl)cc(C(=O)NCC2CCCN2)c2c1CCO2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
HTR4 Q13639 3/20 0.40
HTR3A P46098 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
IKBKB O14920 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA2C P18825 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL6670826 0.86 HTR4 (0.54) DRD2DRD3HTR4HTR3AHTR3E
SCHEMBL9747917 0.86 HTR4 (0.54) DRD2DRD3HTR4HTR3AHTR3E
SCHEMBL9485148 0.86 HTR4 (0.54) DRD2DRD3HTR4HTR3AHTR3E
Hydrochloric Acid SCHEMBL8785455 0.85 HTR4 (0.53) DRD2DRD3HTR4HTR3AHTR3E
Hydrochloric Acid SCHEMBL10509714 0.85 HTR4 (0.53) DRD2DRD3HTR4HTR3AHTR3E
Hydrochloric Acid SCHEMBL8854670 0.85 HTR4 (0.53) DRD2DRD3HTR4HTR3AHTR3E
SCHEMBL8854554 0.81 HTR3A (0.49) DRD2DRD3HTR3A
SCHEMBL9484796 0.81 HTR3A (0.49) DRD2DRD3HTR3A
Hydrochloric Acid SCHEMBL8854531 0.80 HTR3A (0.48) DRD2DRD3HTR3A
Hydrochloric Acid SCHEMBL10399328 0.80 HTR3A (0.48) DRD2DRD3HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282547-B1 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN ERBAMONT INC (US) 1994-01-05 EP claimed
EP-0282547-A4 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN 1990-11-28 EP claimed
EP-0282547-A1 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN. ADRIA LAB INC (US) 1988-09-21 EP claimed
US-4772459-A N-(PYRROLIDINYL-OR PIPERIDINYLALKYL) ETHER-SUBSTITUTED BENZAMIDES ERBAMONT, INC. (US) 1988-09-20 US claimed
WO-1988001866-A1 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN ADRIA LABORATORIES, INC. (US) 1988-03-24 WO claimed