SCHEMBL9683176

SCHEMBL9683176

Fc1ccccc1-n1nc(N2CCNCC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.48
HTR1A P08908 3/20 0.43
HTR7 P34969 2/20 0.43
HTR3A P46098 2/20 0.43
HTR6 P50406 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
NCF1 P14598 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
MTOR P42345 1/20 0.43
HTR5A P47898 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
Hydrochloric Acid SCHEMBL9681905 0.99 SCN9A (0.47) SCN9AHTR1AHTR7HTR3AHTR6
SCHEMBL9683217 0.87 SCN9A (0.42) SCN9AHTR1AHTR7HTR6HTR2A
SCHEMBL9681202 0.87 SCN9A (0.44) SCN9AHTR1AHTR7HTR3AHTR6
SCHEMBL9680378 0.84 ADRB1 (0.58) HTR1AHTR7HTR3AHTR6HTR3E
SCHEMBL9681294 0.84 SCN9A (0.44) SCN9AHTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL9682443 0.83 SCN9A (0.43) SCN9AHTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL9681936 0.83 ADRB1 (0.56) HTR1AHTR7HTR3AHTR6HTR3E
SCHEMBL9681305 0.81 KHK (0.47) HTR1AHTR7HTR3AHTR6HTR2C
SCHEMBL2710715 0.80 KHK (0.54) HTR3AHTR6HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL9681346 0.79 KHK (0.53) HTR3AHTR6HTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999356-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-03-12 US claimed
US-5134236-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-07-28 US disclosed
US-4999356-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-03-12 US disclosed
EP-0302423-A2 1-Phenyl-3-(1-piperazinyl)-1h-indazoles, a process and intermediates for their preparation, and the use thereof as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-02-08 EP disclosed